SCHEMBL10112367

SCHEMBL10112367

Cn1cc(-c2ccc(O)c(-c3ccc(Br)cc3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.44
MAPT P10636 6/20 0.42
AXL P30530 2/20 0.42
CHEK1 O14757 1/20 0.42
TNF P01375 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
MAPK1 P28482 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
SCHEMBL10112365 0.84 MAPT (0.44) FYNMAPTAXLCHEK1TNF
SCHEMBL10112432 0.81 TNF (0.43) FYNMAPTAXLTNFFGFR1
SCHEMBL10112447 0.76 TNF (0.47) FYNMAPTAXLCHEK1TNF
SCHEMBL10112442 0.76 TNF (0.47) FYNMAPTAXLCHEK1TNF
SCHEMBL10112438 0.76 TNF (0.48) FYNMAPTCHEK1TNFIRAK4
SCHEMBL967870 0.75 KCNH2 (0.54) AXLMKNK1MKNK2
SCHEMBL10112345 0.73 RAB9A (0.49) MAPT
SCHEMBL3955630 0.73 KDM4E (0.44) FYNMAPTAXLCHEK1SMARCA2
SCHEMBL15747733 0.72 CYP11B1 (0.49) FYNMAPTAXLCHEK1FGFR3
SCHEMBL15747734 0.72 FYN (0.47) FYNAXLCHEK1IRAK4FGFR3

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 4 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

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 FYN 2144/4885MAPT 744/4885AXL 4244/4885

“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.