SCHEMBL607345

SCHEMBL607345

O=C(NCc1nnc(-c2cc3ccncn3n2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.47
MAPK7 Q13164 9/20 0.47
HTT P42858 4/20 0.40
ADORA2A P29274 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10042092 0.82 MAPK14 (0.43) MAPK14MAPK7HTTADORA2ACYP1A2
SCHEMBL604656 0.81 MAPK14 (0.42) MAPK14MAPK7HTTADORA2ACYP1A2
SCHEMBL298940 0.81 MAPK14 (0.50) MAPK14MAPK7HTTCYP1A2CYP3A4
SCHEMBL297989 0.81 MAPK14 (0.48) MAPK14MAPK7HTTCYP1A2CYP3A4
SCHEMBL299643 0.81 MAPK14 (0.45) MAPK14MAPK7HTTCYP1A2CYP3A4
SCHEMBL299044 0.80 MAPK14 (0.53) MAPK14MAPK7HTTCYP1A2CYP3A4
SCHEMBL10042101 0.80 MAPK14 (0.46) MAPK14MAPK7HTTCYP1A2CYP3A4
SCHEMBL606459 0.79 MAPK14 (0.52) MAPK14MAPK7HTTADORA2ACYP1A2
SCHEMBL615900 0.79 MAPK14 (0.56) MAPK14MAPK7HTT
SCHEMBL607095 0.78 HTT (0.54) MAPK14MAPK7HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 MAPK14 13/4885MAPK7 4/4885HTT 3782/4885

“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.