SCHEMBL69540

SCHEMBL69540

[c]1ncc(-c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.40
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
NPC1 O15118 2/20 0.33
HTR7 P34969 1/20 0.33
GSTO1 P78417 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 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
SCHEMBL9955273 0.81 HSD17B1 (0.45) MEN1KMT2A
SCHEMBL4867372 0.81 MAP4K4 (0.47) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL1900288 0.81 BACE1 (0.41) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2897272 0.81 IDO1 (0.41) KDRRAB9AMEN1KMT2AALDH1A1
SCHEMBL209262 0.80 MAPT (0.42) KDRALDH1A1
SCHEMBL17028871 0.78 IDO1 (0.46) RAB9AALDH1A1ATMMAPK1
SCHEMBL500354 0.77 DYRK1A (0.47) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL1895969 0.74 APP (0.52) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL5257962 0.72 CYP11B2 (0.37) RAB9AALDH1A1ATMNFKB1NFKB2
SCHEMBL2753459 0.72 FGFR1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181138-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2020-06-11 US claimed
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-04-09 US claimed
EP-3601245-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2020-02-05 EP claimed
EP-3481814-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS The Rockefeller University (US) 2019-05-15 EP claimed
WO-2018183411-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-10-04 WO claimed
WO-2018009501-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2018-01-11 WO claimed
EP-2612861-B1 FLUORINATED THIAZOLES FOR USE IN TREATING CANCER UNIV BARCELONA (ES) 2015-05-13 EP claimed
US-8680126-B2 Fluorinated thiazoles for use in treating cancer UNIVERSITAT DE BARCELONA (ES) 2014-03-25 US claimed
US-8586550-B2 Thiazole derivatives as SGLT2 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2013-11-19 US claimed
US-20130190367-A1 FLUORINATED THIAZOLES FOR USE IN TREATING CANCER UNIVERSITAT DE BARCELONA (ES) 2013-07-25 US claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
CN-1170813-C N2 phenylamidine derivatives �ݶ�ũ�����޹�˾ 2004-10-13 CN claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed

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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 KDR 547/4885RAB9A 1445/4885MEN1 4347/4885
US-20130190367-A1 FLUORINATED THIAZOLES FOR USE IN TREATING CANCER TP53, BAX, BCL2 KDR 1894/4885RAB9A 3206/4885MEN1 2790/4885
US-20200181138-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS ITGAV, ITGB3, ITGA4 KDR 28/4885RAB9A 1075/4885MEN1 2442/4885
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME DCUN1D2, CLN6, CAPNS1 KDR 4144/4885RAB9A 1389/4885MEN1 3704/4885

“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.