SCHEMBL2267481

SCHEMBL2267481

c1ccc(NCNc2ncc3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.48
▸ PCSK9 Q8NBP7 1/20 0.48
▸ MAP3K5 Q99683 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.41
▸ ROCK1 Q13464 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 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
SCHEMBL27857007 0.79 RAD52 (0.56) FDPSPCSK9ALDH1A1KDM4EPOLB
SCHEMBL31381352 0.79 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2CYP3A4CYP2C9
SCHEMBL167891 0.79 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2CYP3A4CYP2C9
Benzene SCHEMBL28188863 0.79 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2CYP3A4CYP2C9
SCHEMBL27770482 0.79 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2CYP3A4CYP2C9
SCHEMBL27857085 0.77 PCSK9 (0.55) FDPSPCSK9MAP3K5PDE10AALDH1A1
SCHEMBL4573935 0.77 MAP3K5 (0.58) MAP3K5ROCK1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8807679 0.77 MAP3K5 (0.58) MAP3K5ROCK1CYP1A2CYP3A4CYP2C9
SCHEMBL4967283 0.77 MAP3K5 (0.48) FDPSPCSK9MAP3K5ROCK1ALDH1A1
SCHEMBL28340206 0.76 MAP3K5 (0.51) FDPSMAP3K5ALDH1A1SMN1; SMN2RAB9A

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-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 — — US disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 — — US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 — — US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 — — 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 (2 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS FDPS 2116/4885PCSK9 3869/4885MAP3K5 30/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 FDPS 2141/4885PCSK9 3667/4885MAP3K5 35/4885

“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.

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