SCHEMBL2359189

SCHEMBL2359189

Cc1csc(N=C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ATP4A P20648 7/20 0.44
ATP4B P51164 7/20 0.44
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.40
GRM5 P41594 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 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
SCHEMBL4984430 0.73 HSD17B10 (0.47) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL2211852 0.73 ALDH1A1 (0.46) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL2211854 0.73 ALDH1A1 (0.46) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL6985595 0.72 MAPT (0.57) RAB9ANPC1ATP4AATP4B
Hydrochloric Acid SCHEMBL6989280 0.71 MAPT (0.56) RAB9ANPC1ATP4AATP4B
SCHEMBL24023331 0.70 ALDH1A1 (0.36) RAB9ANPC1ATP4AATP4BHTT
SCHEMBL3086729 0.70 ALDH1A1 (0.36) RAB9ANPC1ATP4AATP4BHTT
SCHEMBL14302479 0.70 SMN1; SMN2 (0.36) RAB9ANPC1ATP4AATP4BHTT
SCHEMBL2304799 0.68 SMN1; SMN2 (0.44) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL15275530 0.66 ESR2 (0.75) GAAKMT2ACYP2C9ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 US disclosed
EP-2357179-A1 Thiazol-2-yl organic compounds Novartis AG (CH) 2011-08-17 EP disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
EP-2035413-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2009-03-18 EP disclosed
CN-101374823-A Organic compounds NOVARTIS AG (CH) 2009-02-25 CN disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
EP-1966175-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 WO disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 WO disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 WO disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 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 (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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 RAB9A 337/4885NPC1 622/4885ATP4A 3170/4885
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD RAB9A 1515/4885NPC1 3385/4885ATP4A 1688/4885
US-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B RAB9A 733/4885NPC1 721/4885ATP4A 1389/4885

“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.