SCHEMBL3868586

SCHEMBL3868586

NC(=O)n1n[c]c2cnc(Oc3ccc(F)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.40
CYP1A2 P05177 17/20 0.40
CYP3A4 P08684 14/20 0.40
USP2 O75604 14/20 0.40
ALDH1A1 P00352 13/20 0.40
CYP2C9 P11712 10/20 0.40
TSHR P16473 9/20 0.40
HSD17B10 Q99714 9/20 0.40
HIF1A Q16665 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 4/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 5/20 0.39
CYP2D6 P10635 2/20 0.38
BRCA1 P38398 1/20 0.38
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3867906 0.84 MAPK14 (0.46) SCN4A
SCHEMBL3864923 0.84 PARP10 (0.38) CYP1A2CYP3A4USP2ALDH1A1CYP2C9
SCHEMBL7975567 0.64 MAPK14 (0.49) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL4993105 0.63 SCN4A (0.52) SCN4A
SCHEMBL27943516 0.62 OPRM1 (0.52) SCN4AKMT2A
SCHEMBL1804823 0.62 MEN1 (0.46) CYP1A2CYP3A4USP2ALDH1A1CYP2C9
SCHEMBL30576778 0.62 PARP10 (0.58) ALDH1A1KMT2A
SCHEMBL22534745 0.62 MEN1 (0.62) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL20524290 0.60 MEN1 (0.58) SCN4ACYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL28437724 0.60 MEN1 (0.51) SCN4AALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US claimed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 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-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 SCN4A 3998/4885CYP1A2 2209/4885CYP3A4 3945/4885

“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.