SCHEMBL1985682

SCHEMBL1985682

[CH2]c1cccc(-c2ncn[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.64
ENPP2 Q13822 1/20 0.64
MRGPRX4 Q96LA9 1/20 0.40
EGFR P00533 1/20 0.39
PPARA Q07869 1/20 0.38
GAK O14976 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
NQO2 P16083 1/20 0.36
CSNK2A2 P19784 1/20 0.36
FECH P22830 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 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
SCHEMBL1334565 0.78 IDO1 (1.00) IDO1ENPP2MRGPRX4ALDH1A1GAA
SCHEMBL16168686 0.78 IDO1 (0.64) IDO1ENPP2EGFR
SCHEMBL3080603 0.78 ENPP2 (1.00) IDO1ENPP2MAP4K4ALDH1A1
SCHEMBL2659146 0.78 IDO1 (0.64) IDO1ENPP2ALDH1A1GAA
SCHEMBL2721372 0.76 IDO1 (0.60) IDO1ENPP2PPARANPBWR1ALDH1A1
SCHEMBL29516758 0.74 IDO1 (0.58) IDO1ENPP2PPARANPBWR1ALDH1A1
SCHEMBL10022419 0.74 IDO1 (0.58) IDO1ENPP2MRGPRX4EGFRGAA
SCHEMBL10066580 0.74 IDO1 (0.58) IDO1ENPP2MRGPRX4EGFR
SCHEMBL4233813 0.72 IDO1 (0.56) IDO1ENPP2PPARADYRK3CLK1
SCHEMBL3080597 0.71 ENPP2 (0.59) IDO1ENPP2EGFRDYRK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US claimed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 IDO1 3332/4885ENPP2 3466/4885MRGPRX4 1638/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 IDO1 3332/4885ENPP2 3466/4885MRGPRX4 1638/4885

“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.