SCHEMBL2760129

SCHEMBL2760129

CCc1ccc(Cc2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HRH3 Q9Y5N1 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
HRH1 P35367 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18937949 0.85 L3MBTL1 (0.61) L3MBTL1TDP1KDM4EPOLBTSHR
SCHEMBL8736874 0.84 L3MBTL1 (0.65) L3MBTL1KDM4ERAB9ANPC1LMNA
SCHEMBL29373231 0.83 L3MBTL1 (0.68) L3MBTL1TDP1POLBRAB9ANPC1
SCHEMBL64435 0.83 L3MBTL1 (0.68) L3MBTL1TDP1POLBRAB9ANPC1
Bromide SCHEMBL10759788 0.81 L3MBTL1 (0.66) L3MBTL1TDP1POLBRAB9ANPC1
SCHEMBL30021715 0.81 L3MBTL1 (0.66) L3MBTL1TDP1POLBRAB9ANPC1
SCHEMBL29985764 0.81 L3MBTL1 (0.66) L3MBTL1TDP1POLBRAB9ANPC1
Hydrochloric Acid SCHEMBL31087535 0.81 L3MBTL1 (0.71) L3MBTL1POLBRAB9ANPC1LMNA
SCHEMBL31236458 0.81 L3MBTL1 (0.66) L3MBTL1TDP1POLBRAB9ANPC1
SCHEMBL31276017 0.81 L3MBTL1 (0.66) L3MBTL1POLBRAB9ANPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106032355-B A kind of method that pyridine side chain c h bond is direct oxidation into ketone 中国科学院大连化学物理研究所 2019-01-04 CN claimed
CN-106032355-A Method for directly oxidizing C-H bond in side chain of pyridine into ketone 中国科学院大连化学物理研究所 2016-10-19 CN claimed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-05-25 US disclosed
US-9575080-B2 2017-02-21 US disclosed
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2016-03-10 US disclosed
US-20160069915-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC, 2016-03-10 US disclosed
US-9139541-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-08-13 US disclosed
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8486942-B2 Modulators of pharmacokinetic properties of therapeutics Gilead Sciencs, Inc. (US) 2013-07-16 US disclosed
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO L3MBTL1 4392/4885TDP1 798/4885KDM4E 3155/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 L3MBTL1 4365/4885TDP1 3338/4885KDM4E 3311/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 L3MBTL1 4332/4885TDP1 3285/4885KDM4E 3284/4885
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 L3MBTL1 4154/4885TDP1 2706/4885KDM4E 4073/4885
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 L3MBTL1 4332/4885TDP1 3285/4885KDM4E 3284/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 L3MBTL1 4154/4885TDP1 2706/4885KDM4E 4073/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 L3MBTL1 4332/4885TDP1 3285/4885KDM4E 3284/4885
US-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 L3MBTL1 4154/4885TDP1 2706/4885KDM4E 4073/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 L3MBTL1 4154/4885TDP1 2706/4885KDM4E 4073/4885
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 L3MBTL1 4154/4885TDP1 2706/4885KDM4E 4073/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.