SCHEMBL16427445

SCHEMBL16427445

Cc1nc2cc(Cl)nc(Cl)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CSNK2A1 P68400 2/20 0.36
ADORA3 P0DMS8 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
PARP1 P09874 2/20 0.35
TYMS P04818 2/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL29491160 1.00 ALDH1A1 (0.43) ALDH1A1CSNK2A1ADORA3SMN1; SMN2HTT
SCHEMBL23473991 0.72 ALDH1A1 (0.43) ALDH1A1CSNK2A1ADORA3SMN1; SMN2HTT
SCHEMBL13544179 0.72 ALDH1A1 (0.47) ALDH1A1CSNK2A1ADORA3HTTPARP1
SCHEMBL9505765 0.72 HTT (0.52) ALDH1A1CSNK2A1ADORA3HTTPARP1
SCHEMBL9693508 0.69 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL13351381 0.69 ALDH1A1 (0.41) ALDH1A1CSNK2A1ADORA3SMN1; SMN2HTT
SCHEMBL1286353 0.69 ALDH1A1 (0.41) ALDH1A1CSNK2A1ADORA3HTTPARP1
SCHEMBL5355865 0.69 ALDH1A1 (0.44) ALDH1A1CSNK2A1ADORA3HTTPARP1
SCHEMBL17595095 0.69 ALDH1A1 (0.41) ALDH1A1CSNK2A1ADORA3SMN1; SMN2HTT
SCHEMBL24122690 0.69 ALDH1A1 (0.44) ALDH1A1CSNK2A1ADORA3HTTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 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 (3 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4200/4885CSNK2A1 273/4885ADORA3 1628/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4181/4885CSNK2A1 266/4885ADORA3 1560/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN ALDH1A1 4181/4885CSNK2A1 266/4885ADORA3 1560/4885

“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.