SCHEMBL2184656

SCHEMBL2184656

COc1cccc(-c2nccs2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
HSP90AA1 P07900 1/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
SYK P43405 7/20 0.47
SRC P12931 4/20 0.47
ZAP70 P43403 4/20 0.47
SMPD3 Q9NY59 1/20 0.44
CDK2 P24941 1/20 0.44
BTK Q06187 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
PDPK1 O15530 1/20 0.42
ECE1 P42892 1/20 0.40
CRHR1 P34998 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4902877 0.82 RAB9A (0.61) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL27911185 0.80 RAB9A (0.43) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL12367267 0.80 SYK (0.43) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL4905135 0.77 RAB9A (0.53) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL9287533 0.77 CCR1 (0.54) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL3155981 0.75 BTK (0.61) BTK
SCHEMBL25027832 0.75 BTK (0.46) RAB9ABTK
SCHEMBL28020334 0.75 SRC (0.42) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL15668780 0.74 SMPD3 (0.45) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1
SCHEMBL4539618 0.74 SYK (0.45) RAB9AHSP90AA1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203075-B Bicyclic kinase inhibitors NOVARTIS AG 2014-09-10 CN disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN 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
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

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 RAB9A 3490/4885HSP90AA1 2771/4885CYP1A1 3136/4885

“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.