SCHEMBL10112432

SCHEMBL10112432

Cn1cc(-c2ccc(O)c(-c3ccc(Br)cc3F)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
AXL P30530 3/20 0.42
PIM1 P11309 3/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAP4K1 Q92918 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
MAPT P10636 3/20 0.37
PIM2 Q9P1W9 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
DYRK2 Q92630 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
HIPK3 Q9H422 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL10112433 0.87 AXL (0.43) TNFAXLPIM1ALOX5APFEN1
SCHEMBL10112367 0.81 FYN (0.44) TNFAXLSMARCA2SMARCA4MAPT
SCHEMBL10112554 0.80 TNF (0.51) TNFAXLPIM1PIM2FGFR1
SCHEMBL18183699 0.79 AXL (0.50) AXLPIM1ALOX5APFEN1SMARCA2
SCHEMBL10112518 0.76 CYP11B2 (0.44) TNFPIM1MAPTERN1
SCHEMBL10112365 0.70 MAPT (0.44) TNFAXLPIM1MAPTCLK1
SCHEMBL25252397 0.68 FYN (0.41) AXLALOX5APFEN1FYNFGFR1
SCHEMBL17436981 0.67 ERN1 (0.55) PIM1PIM2ERN1FGFR1FGFR2
SCHEMBL10112377 0.67 TNF (0.45) TNFMAPT
SCHEMBL15747733 0.66 CYP11B1 (0.49) AXLPIM1ALOX5APMAPTPIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
WO-2010054279-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 TNF 1/4885AXL 4244/4885PIM1 4280/4885

“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.