SCHEMBL2397341

SCHEMBL2397341

COc1ccc(NC(N)=S)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 4/20 0.58
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
PABPC1 P11940 4/20 0.57
KDM4E B2RXH2 4/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NNMT P40261 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL6846376 0.88 KMT2A (0.58) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL10417850 0.84 KMT2A (0.58) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL11398014 0.83 KMT2A (0.48) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL22773569 0.83 KMT2A (0.65) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL9954855 0.83 KMT2A (0.56) RAB9ANPC1KMT2AMEN1PABPC1
Cyclopropane SCHEMBL8126236 0.80 NPC1 (0.56) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL10416677 0.80 KDM4E (0.57) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL27954442 0.79 KDM4E (0.71) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL5525945 0.78 LTA4H (0.57) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL9849525 0.78 KDM4E (0.54) RAB9ANPC1KMT2AMEN1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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 (2 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB RAB9A 2095/4885NPC1 3795/4885KMT2A 4760/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 RAB9A 1020/4885NPC1 2499/4885KMT2A 2160/4885

“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.