SCHEMBL10112438

SCHEMBL10112438

CCC(=O)Oc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.48
CHEK1 O14757 1/20 0.40
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
JAK3 P52333 4/20 0.39
MAPK1 P28482 2/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CSF1R P07333 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FYN P06241 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPT P10636 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 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
SCHEMBL10112442 0.87 TNF (0.47) TNFCHEK1JAK2JAK1TYK2
SCHEMBL10112447 0.85 TNF (0.47) TNFCHEK1FGFR1FGFR2FGFR3
SCHEMBL10112367 0.76 FYN (0.44) TNFCHEK1MAPK1FGFR1FGFR2
SCHEMBL10112365 0.75 MAPT (0.44) TNFCHEK1MAPK1FGFR1FGFR2
SCHEMBL10112554 0.72 TNF (0.51) TNFFGFR1FGFR2FGFR3CSF1R
SCHEMBL10112372 0.67 NPC1 (0.47) TNFALDH1A1MAPT
SCHEMBL967870 0.66 KCNH2 (0.54) PIK3CA
SCHEMBL15747734 0.66 FYN (0.47) CHEK1MAPK1FGFR3IRAK4FYN
SCHEMBL10112432 0.65 TNF (0.43) TNFFGFR1FGFR2FGFR3FYN
SCHEMBL25590389 0.65 NPC1 (0.47) IRAK4CSF1RMAPT

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 4799/4885JAK2 852/4885

“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.