SCHEMBL2267486

SCHEMBL2267486

NN(Cc1ccccc1)c1ncc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ AOC3 Q16853 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL11769407 0.75 TLR8 (0.46) CYP1A2
SCHEMBL4486501 0.75 CYP1A2 (0.41) CYP1A2MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL17061539 0.74 CYP1A2 (0.47) CYP1A2MEN1KMT2AKDM4EGPR3
SCHEMBL12003727 0.71 CYP1A2 (0.56) CYP1A2MEN1KMT2AKDM4EGPR3
SCHEMBL31391395 0.71 CYP1A2 (0.56) CYP1A2MEN1KMT2AKDM4EGPR3
Hydrochloric Acid SCHEMBL27842484 0.70 CYP1A2 (0.41) CYP1A2KMT2ASMN1; SMN2KDM4EGPR3
SCHEMBL23978672 0.68 CYP1A2 (0.45) RPS6KB1CYP1A2KDM4EGPR3EGFR
SCHEMBL3049083 0.67 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ASTAT3HTT
SCHEMBL3337226 0.67 CYP1A2 (0.47) CYP1A2MEN1KMT2AKDM4EGPR3
Hydrochloric Acid SCHEMBL10583130 0.67 CYP1A2 (0.47) L3MBTL1CYP1A2SMN1; SMN2KDM4EEGFR

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 CFTR 3266/4885RPS6KB1 410/4885AOC3 1178/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 CFTR 3036/4885RPS6KB1 517/4885AOC3 1270/4885

“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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