SCHEMBL2160632

SCHEMBL2160632

N#Cc1cc(C#N)cc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
ACHE P22303 1/20 0.42
TTR P02766 2/20 0.41
ALB P02768 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN2 Q96KS0 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
CYP2A6 P11509 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
VCAM1 P19320 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GPR35 Q9HC97 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4693793 0.95 GRM5 (0.42) GRM5ACHETTRALBMEN1
SCHEMBL29415732 0.84 GRM5 (0.47) GRM5
SCHEMBL3488510 0.84 GRM5 (0.47) GRM5
SCHEMBL5898263 0.84 TTR (0.39) GRM5ACHETTRALBMEN1
SCHEMBL2160824 0.84 ADRA1D (0.43) GRM5ACHETTRALBMEN1
SCHEMBL2161079 0.84 TTR (0.43) GRM5ACHETTRALBMEN1
SCHEMBL30646925 0.84 ADRA1D (0.43) GRM5ACHETTRALBMEN1
SCHEMBL16953338 0.84 TTR (0.43) GRM5ACHETTRALBMEN1
SCHEMBL16952693 0.84 CYP2A6 (0.48) GRM5ACHETTRALBMEN1
SCHEMBL5898388 0.84 GRM5 (0.38) GRM5ACHETTRALBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-3658522-B1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX INC (US) 2021-12-22 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 WO disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 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 (4 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 GRM5 2052/4885ACHE 3876/4885TTR 3821/4885
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DPYD, TYMP, PNPO GRM5 1944/4885ACHE 2579/4885TTR 1331/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 GRM5 1388/4885ACHE 4256/4885TTR 2913/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 GRM5 2052/4885ACHE 3876/4885TTR 3821/4885

“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.