SCHEMBL687644

SCHEMBL687644

Cc1cc(C(N)=O)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.46
HTT P42858 1/20 0.44
GRM2 Q14416 2/20 0.39
AURKA O14965 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CTSA P10619 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL27410251 0.81 LMNA (0.47) LMNAPOLBHTTGRM2CDK8
SCHEMBL10103467 0.81 GAA (0.47) LMNAPOLBHTTGRM2AURKA
SCHEMBL1760306 0.80 KMO (0.49) LMNACTSAALDH1A1MAPK1SMN1; SMN2
SCHEMBL882675 0.80 SMN1; SMN2 (0.41) LMNAPOLBHTTCTSAALDH1A1
SCHEMBL1178392 0.79 LMNA (0.73) LMNAPOLBHTTGRM2AURKA
SCHEMBL3112850 0.78 LMNA (0.48) LMNAPOLBHTTGRM2AURKA
SCHEMBL23881596 0.78 P2RX7 (0.53) HTTCTSAALDH1A1SMN1; SMN2KMT2A
SCHEMBL16123857 0.78 KMT2A (0.41) LMNAPOLBHTTCTSAALDH1A1
SCHEMBL19641722 0.77 LMNA (0.47) LMNAPOLBHTTGRM2AURKA
SCHEMBL20639210 0.77 LMNA (0.47) LMNAPOLBHTTGRM2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 US claimed
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN claimed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP claimed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 US claimed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP claimed
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 US claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US claimed
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 WO claimed
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US claimed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US claimed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP claimed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
WO-2004011460-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, INC. (CA) 2004-02-05 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 (5 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-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors TST, PTK2, PTK2B LMNA 4783/4885POLB 4248/4885HTT 2081/4885
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA LMNA 4635/4885POLB 370/4885HTT 2273/4885
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 LMNA 2974/4885POLB 3096/4885HTT 4328/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH LMNA 4192/4885POLB 1191/4885HTT 3618/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 LMNA 1260/4885POLB 2796/4885HTT 765/4885

“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.