SCHEMBL10077957

SCHEMBL10077957

CC(C)c1nncc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.42
CCR8 P51685 4/20 0.42
CCR5 P51681 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HSP90AA1 P07900 3/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GMNN O75496 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MMP8 P22894 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL13452501 0.76 CCR1 (0.52) CCR1CCR8CCR5LMNAMAPT
SCHEMBL29559557 0.76 CCR1 (0.46) CCR1CCR8CCR5LMNAMAPT
SCHEMBL10084154 0.76 KDM4E (0.46) CCR1CCR8CCR5LMNAMAPT
SCHEMBL30557116 0.75 ALDH1A1 (0.39) LMNAMAPTTSHRTP53KDM4E
SCHEMBL26119658 0.75 ALDH1A1 (0.39) LMNAMAPTTSHRTP53KDM4E
SCHEMBL26122847 0.74 PARP1 (0.43) CCR1CCR8CCR5LMNAMAPT
SCHEMBL30556934 0.74 PARP1 (0.43) CCR1CCR8CCR5LMNAMAPT
SCHEMBL23178627 0.73 EGFR (0.31)
SCHEMBL17705704 0.72 HSP90AA1 (0.47) CCR1CCR8CCR5LMNAMAPT
SCHEMBL30556846 0.72 CCR1 (0.46) CCR1CCR8CCR5LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-01 US disclosed
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-10-31 US disclosed
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-09-19 US disclosed
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-10329303-B2 Heterocyclic inhibitors of monocarboxylate transporter THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-8575166-B2 Phthalazine-containing antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2012-01-05 US disclosed
US-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2012-01-05 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-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 CCR1 593/4885CCR8 1607/4885CCR5 1267/4885
US-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 CCR1 3731/4885CCR8 4098/4885CCR5 1391/4885
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A3, SLC16A1, SLC16A7 CCR1 149/4885CCR8 642/4885CCR5 314/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CCR1 1871/4885CCR8 1958/4885CCR5 3381/4885
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 CCR1 271/4885CCR8 660/4885CCR5 550/4885
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 CCR1 500/4885CCR8 1725/4885CCR5 1066/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 CCR1 271/4885CCR8 660/4885CCR5 550/4885
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 CCR1 593/4885CCR8 1607/4885CCR5 1267/4885
US-10329303-B2 Heterocyclic inhibitors of monocarboxylate transporter SLC16A1, SLC16A3, SLC16A7 CCR1 544/4885CCR8 1510/4885CCR5 1157/4885
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 CCR1 271/4885CCR8 660/4885CCR5 550/4885

“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.