SCHEMBL2185378

SCHEMBL2185378

Nc1ccc(-c2nccs2)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
RAB9A P51151 1/20 0.50
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
CYP1A1 P04798 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP1B1 Q16678 4/20 0.42
SYK P43405 6/20 0.40
PDPK1 O15530 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NOS1 P29475 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL319118 0.74 HSP90AA1 (0.51) HSP90AA1RAB9AADORA2AADORA1SYK
SCHEMBL28996233 0.73 HSP90AA1 (0.43) HSP90AA1RAB9AADORA2AADORA1CYP1A1
SCHEMBL3044712 0.73 HSP90AA1 (1.00) HSP90AA1RAB9AADORA2AADORA1SYK
SCHEMBL1536531 0.73 HSP90AA1 (0.62) HSP90AA1RAB9AADORA2AADORA1CYP1A1
SCHEMBL30603817 0.72 HSP90AA1 (0.53) HSP90AA1RAB9AADORA2AADORA1CYP1A1
Bromide SCHEMBL5698717 0.71 HSP90AA1 (0.96) HSP90AA1RAB9AADORA2AADORA1SYK
SCHEMBL4902877 0.71 RAB9A (0.61) HSP90AA1RAB9ACYP1A1CYP1A2CYP1B1
SCHEMBL1910505 0.71 HSP90AA1 (0.48) HSP90AA1RAB9AADORA2AADORA1SYK
SCHEMBL27923369 0.71 HSP90AA1 (0.48) HSP90AA1RAB9ASYKPDPK1LOXL2
SCHEMBL320331 0.70 HSP90AA1 (0.47) HSP90AA1RAB9ASYKSRCZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
CN-102203075-A Bicyclic kinase inhibitors NOVARTIS AG 2011-09-28 CN disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 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 (1 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 HSP90AA1 2771/4885RAB9A 3490/4885ADORA2A 3971/4885

“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.