SCHEMBL3553769

SCHEMBL3553769

CCCc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SREBF2 Q12772 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18272522 0.88 L3MBTL1 (0.44) MBOAT4NPC1MAPK1L3MBTL1GLA
SCHEMBL24501321 0.86 NPC1 (0.46) NPC1MAPK1L3MBTL1GLARAB9A
SCHEMBL1311526 0.82
SCHEMBL29694997 0.82
SCHEMBL15769012 0.80 DAO (0.36) PTK2MBOAT4L3MBTL1ADRA2AADRA2B
SCHEMBL4705324 0.78 MAOB (0.40) PTK2L3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL1312835 0.78 TRPA1 (0.38) PTK2MBOAT4L3MBTL1ADRA2AADRA2B
SCHEMBL31497358 0.78 HRH1 (0.47) MBOAT4ADRA2AADRA2BADRA2CTSHR
SCHEMBL8337948 0.78 HRH1 (0.47) MBOAT4ADRA2AADRA2BADRA2CTSHR
SCHEMBL4705506 0.78 DAO (0.35) PTK2MBOAT4L3MBTL1ADRA2AADRA2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
WO-2012122077-A1 PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-09-13 WO disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
US-7659399-B2 1-thia-2,4a-diaza-cyclopenta[b]napththalene-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-20070129333-A1 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-06-07 US disclosed
WO-2006074317-A1 1-THIA-2,4A-DIAZA-CYCLOPENTA[B]NAPHTHALENE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-07-13 WO 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 (6 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-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A PTK2 3222/4885MBOAT4 2677/4885NPC1 3288/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL PTK2 29/4885MBOAT4 4574/4885NPC1 4155/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 PTK2 2717/4885MBOAT4 2021/4885NPC1 1807/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL PTK2 29/4885MBOAT4 4574/4885NPC1 4155/4885
US-20070129333-A1 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents CCNA1, TOP1, DNA2 PTK2 3047/4885MBOAT4 4688/4885NPC1 664/4885
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 PTK2 3620/4885MBOAT4 2294/4885NPC1 2531/4885

“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.