SCHEMBL4476468

SCHEMBL4476468

COC(=O)c1ccc(C(F)(F)F)nc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56
TUBB6 Q9BUF5 1/20 0.56
TUBB2B Q9BVA1 1/20 0.56
TUBB1 Q9H4B7 1/20 0.56
CFTR P13569 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
POLB P06746 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3541953 0.85 POLB (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30640906 0.85 POLB (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28302287 0.85 PDCD1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3665663 0.84 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3544818 0.84 NNMT (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3878179 0.83 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13473869 0.83 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28795121 0.83 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27686214 0.83 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9264129 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-04-25 US disclosed
US-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2023-01-19 US disclosed
WO-2021104461-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR 南京明德新药研发有限公司 2021-06-03 WO disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (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-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR CHEK1, CHEK2, DDB1 TUBB4A 2386/4885TUBB 1732/4885TUBA3C 2808/4885
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 TUBB4A 3464/4885TUBB 3170/4885TUBA3C 2991/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 TUBB4A 3251/4885TUBB 2583/4885TUBA3C 2177/4885
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor CHEK1, CHEK2, DDB1 TUBB4A 2386/4885TUBB 1732/4885TUBA3C 2808/4885

“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.