SCHEMBL607095

SCHEMBL607095

O=C(NCc1nnc(-c2cccnc2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
MAPK7 Q13164 9/20 0.52
MAPK14 Q16539 8/20 0.52
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
YTHDC1 Q96MU7 1/20 0.44

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
SCHEMBL299044 0.90 MAPK14 (0.53) HTTMAPK7MAPK14HPGDCYP1A2
SCHEMBL605344 0.88 MAPK14 (0.52) HTTMAPK7MAPK14SMN1; SMN2
SCHEMBL606459 0.87 MAPK14 (0.52) HTTMAPK7MAPK14HPGDCYP1A2
SCHEMBL615900 0.84 MAPK14 (0.56) HTTMAPK7MAPK14
SCHEMBL298943 0.84 MAPK14 (0.46) HTTMAPK7MAPK14HPGDCYP1A2
SCHEMBL10042087 0.83 MAPK14 (0.48) HTTMAPK7MAPK14HPGDCYP1A2
SCHEMBL298940 0.83 MAPK14 (0.50) HTTMAPK7MAPK14HPGDCYP1A2
SCHEMBL297868 0.83 MAPK14 (0.46) HTTMAPK7MAPK14SMN1; SMN2
SCHEMBL300357 0.83 MAPK14 (0.42) HTTMAPK7MAPK14HPGDCYP2C9
SCHEMBL605284 0.83 MAPK14 (0.49) HTTMAPK7MAPK14HPGDCYP1A2

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 7 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-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
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
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 HTT 3782/4885MAPK7 4/4885MAPK14 13/4885

“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.