SCHEMBL10112447

SCHEMBL10112447

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.47
CHEK1 O14757 1/20 0.40
FGFR1 P11362 3/20 0.37
FGFR2 P21802 3/20 0.37
FGFR3 P22607 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CSF1R P07333 2/20 0.37
PDGFRB P09619 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDGFRA P16234 1/20 0.37
FYN P06241 1/20 0.36
SCN9A Q15858 1/20 0.36
ALPL P05186 1/20 0.36
MAPT P10636 2/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
AXL P30530 2/20 0.35

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
SCHEMBL10112554 0.86 TNF (0.51) TNFFGFR1FGFR2FGFR3CSF1R
SCHEMBL10112442 0.85 TNF (0.47) TNFCHEK1FGFR1FGFR2FGFR3
SCHEMBL10112438 0.85 TNF (0.48) TNFCHEK1FGFR1FGFR2FGFR3
SCHEMBL10112367 0.76 FYN (0.44) TNFCHEK1FGFR1FGFR2FGFR3
SCHEMBL10112365 0.75 MAPT (0.44) TNFCHEK1FGFR1FGFR2FGFR3
SCHEMBL10112535 0.69 ELANE (0.48) TNFCYP2C9
SCHEMBL10112372 0.67 NPC1 (0.47) TNFMAPT
SCHEMBL967870 0.66 KCNH2 (0.54) AXL
SCHEMBL15747734 0.66 FYN (0.47) CHEK1FGFR3IRAK4FYNAXL
SCHEMBL25590389 0.65 NPC1 (0.47) IRAK4CSF1RMAPTDYRK1A

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 TNF 1/4885CHEK1 4799/4885FGFR1 734/4885

“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.