SCHEMBL3941691

SCHEMBL3941691

N#Cc1cncc(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.50
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
HTT P42858 1/20 0.33
PADI4 Q9UM07 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
SCHEMBL31586111 1.00 RAF1 (0.50) RAF1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476029 0.82 RAF1 (0.47) RAF1
SCHEMBL18921321 0.81 RAF1 (0.53) RAF1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL18921318 0.81 RAF1 (0.53) RAF1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476741 0.79 RAF1 (0.50) RAF1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL20489980 0.79 CYP2A6 (0.40) RAF1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29951866 0.79 CYP2A6 (0.40) RAF1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL746371 0.78 CYP11B2 (0.49) CYP11B1CYP11B2
Ethylene Glycol SCHEMBL11190757 0.78 RAF1 (0.38) RAF1
SCHEMBL936524 0.77 CYP11B1 (0.47) RAF1CYP11B1CYP11B2CHRNB2CHRNA4

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617801-B2 Tetrahydrothieno pyridine derivatives as DDRS inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-05-05 US disclosed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4313292-B1 INDOLINE DERIVATIVES AS DDR1 AND DDR2 INHIBITORS CHIESI FARM SPA (IT) 2026-02-18 EP disclosed
EP-4313994-B1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-03-05 EP disclosed
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 CN disclosed
US-20240199635-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-20 US disclosed
US-20240190847-A1 INDOLINE DERIVATIVES AS DDR1 AND DDR2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-13 US disclosed
CN-117777009-A Compound darmorkvir and application thereof 上海市重大传染病和生物安全研究院 2024-03-29 CN disclosed
EP-4313292-A1 INDOLINE DERIVATIVES AS DDR1 AND DDR2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 EP disclosed
CN-117120434-A Indoline derivatives as DDR1 and DDR2 inhibitors 奇斯药制品公司 2023-11-24 CN disclosed
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2006-02-16 US disclosed
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP disclosed
EP-1509515-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-02 EP disclosed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
WO-2003097806-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO[2,3-H]CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 WO disclosed
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 WO disclosed
US-4393212-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1983-07-12 US disclosed
US-4294969-A COUPLING N-BROMOSUCCINIMIDE AND A 2-BROMOPYRIDINE MERCK & CO., INC. (US) 1981-10-13 US disclosed
US-4279913-A ANTIARRYTHMIA, HYPOTENSIVE MERCK & CO., INC. (US) 1981-07-21 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 (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-20240190847-A1 INDOLINE DERIVATIVES AS DDR1 AND DDR2 INHIBITORS DDR1, DDR2, DDRGK1 RAF1 2117/4885CYP11B1 4317/4885CYP11B2 4096/4885
US-12617801-B2 Tetrahydrothieno pyridine derivatives as DDRS inhibitors DDR1, DDR2, DDRGK1 RAF1 445/4885CYP11B1 3500/4885CYP11B2 3869/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 RAF1 686/4885CYP11B1 1407/4885CYP11B2 2028/4885
US-20240199635-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 RAF1 550/4885CYP11B1 4395/4885CYP11B2 4543/4885
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 RAF1 586/4885CYP11B1 263/4885CYP11B2 513/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 RAF1 468/4885CYP11B1 149/4885CYP11B2 463/4885

“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.