SCHEMBL49097

SCHEMBL49097

Cc1nc(N)sc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.57
CCNT1 O60563 1/20 0.57
CCNB2 O95067 1/20 0.57
CCNE2 O96020 1/20 0.57
ABL1 P00519 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNA2 P20248 1/20 0.57
CCND1 P24385 1/20 0.57
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
ABL2 P42684 1/20 0.57
GSK3B P49841 1/20 0.57
CDK7 P50613 1/20 0.57
CDK9 P50750 1/20 0.57
CCNH P51946 1/20 0.57
MNAT1 P51948 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57

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
SCHEMBL20703534 0.83 MAPT (0.65) AURKACCNT1CCNB2CCNE2ABL1
SCHEMBL2396550 0.82 MAPT (0.63) AURKACCNT1CCNB2CCNE2ABL1
Bromide SCHEMBL7143173 0.80 MYC (0.61) PKMMGAMGAASIMGAM2
SCHEMBL23539554 0.78 MYC (0.56) AURKACCNT1CCNB2CCNE2ABL1
SCHEMBL3598571 0.78 MEN1 (0.52) CCNT1CDK1CDK4CCNB1CCNA2
SCHEMBL7142259 0.78 MEN1 (0.52) CCNT1CDK1CDK4CCNB1CCNA2
SCHEMBL28059020 0.78 AURKA (0.55) AURKACCNT1CCNB2CCNE2ABL1
SCHEMBL16490379 0.78 GAA (0.51) AURKACCNT1CCNB2CCNE2ABL1
SCHEMBL8083511 0.77 MEN1 (0.54) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL11326282 0.77 MYC (0.65) PKMMGAMGAASIMGAM2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
CN-100548996-C 5-phenylthiazole derivatives and their use for the preparation of medicaments NOVARTIS AG (CH) 2009-10-14 CN disclosed
CN-1639139-A 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2005-07-13 CN disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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 (3 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B AURKA 901/4885CCNT1 148/4885CCNB2 826/4885
US-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 AURKA 4027/4885CCNT1 133/4885CCNB2 1276/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B AURKA 901/4885CCNT1 148/4885CCNB2 826/4885

“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.