SCHEMBL110617

SCHEMBL110617

Brc1ccc(CN2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
CXCR4 P61073 1/20 0.53
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.50
CYP2A13 Q16696 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
ALOX15 P16050 2/20 0.43
AKR1C3 P42330 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1881035 0.84 HRH3 (0.53) HRH3TSHRSMN1; SMN2MCHR1KCNH2
SCHEMBL21813123 0.84 TSHR (0.50) HRH3TSHRNPC1AKR1C3SMN1; SMN2
SCHEMBL1873045 0.83 HRH3 (0.55) HRH3TSHRSMN1; SMN2MCHR1KCNH2
SCHEMBL31469718 0.82 TEAD1 (0.48) HRH3TSHRMCHR1
SCHEMBL13452765 0.80 HRH3 (0.53) HRH3CXCR4NPC1CYP2A13HIF1A
SCHEMBL5254916 0.80 CYP1A2 (0.45) HRH3SMN1; SMN2MCHR1CYP2C9ALDH1A1
SCHEMBL3065752 0.80 CXCR4 (0.45) HRH3CXCR4MEN1ALDH1A1KMT2A
SCHEMBL13187501 0.80 HRH3 (0.53) HRH3CXCR4NPC1CYP2A13HIF1A
SCHEMBL10112329 0.80 KDM4E (0.57) HRH3NPC1CYP2A13ALDH1A1
SCHEMBL29036784 0.80 HRH3 (0.53) HRH3CXCR4NPC1HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714127-B2 Process for making heteroaryl amine intermediate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-05-11 US claimed
US-20070105857-A1 Process for Making Heteroaryl Amine Intermediate Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2007-05-10 US claimed
WO-2007044490-A2 PROCESS FOR MAKING HETEROARYL AMINE INTERMEDIATE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 WO claimed
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
WO-2024253416-A1 PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-12-12 WO disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 US disclosed
US-20240246913-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-07-25 US disclosed
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
EP-4347563-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2024-04-10 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-20020032195-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-14 US disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
US-20010053850-A1 Novel synthesis of heteroarylamine intermediate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-12-20 US disclosed
WO-2001090072-A1 NOVEL SYNTHESIS OF HETEROARYLAMINE INTERMEDIATE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-11-29 WO disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 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 (9 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-20010053850-A1 Novel synthesis of heteroarylamine intermediate compounds HINT1, GNMT, PPIP5K2 HRH3 563/4885CXCR4 4336/4885TSHR 2772/4885
US-20020032195-A1 Compounds useful as anti-inflammatory agents MPO, EPX, PTGES HRH3 435/4885CXCR4 272/4885TSHR 4411/4885
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 HRH3 488/4885CXCR4 967/4885TSHR 330/4885
US-20240246913-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES IDO2, IDO1, COMT HRH3 2899/4885CXCR4 3633/4885TSHR 4272/4885
US-20070105857-A1 Process for Making Heteroaryl Amine Intermediate Compounds MAOB, MAOA, CYP1B1 HRH3 2015/4885CXCR4 4219/4885TSHR 3470/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL HRH3 1485/4885CXCR4 720/4885TSHR 4736/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 HRH3 2345/4885CXCR4 1501/4885TSHR 894/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 HRH3 2345/4885CXCR4 1501/4885TSHR 894/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 HRH3 1426/4885CXCR4 628/4885TSHR 1863/4885

“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.