SCHEMBL294277

SCHEMBL294277

CN(C)c1ncc(-c2cnc3[nH]cc(C(=O)c4cccc(N)c4F)c3c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.67
▸ AXL P30530 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAP4K1 Q92918 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ PAK1 Q13153 2/20 0.44
▸ BRAF P15056 4/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ CYP2C19 P33261 2/20 0.42

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
SCHEMBL294276 0.90 CYP2C9 (0.67) CYP2C9AXLCYP2D6ABL1PAK1
SCHEMBL3506675 0.86 AXL (0.58) CYP2C9AXLABL1PAK1AAK1
SCHEMBL2882905 0.86 CYP2D6 (0.59) CYP2C9AXLCYP2D6MAP4K1PAK1
SCHEMBL294070 0.85 CYP2C9 (0.67) CYP2C9CYP2D6CYP3A4BRAFCYP2C19
SCHEMBL2357395 0.84 BRAF (0.53) CYP2C9AXLPAK1BRAFCYP2C19
SCHEMBL15667416 0.83 CYP2C9 (0.79) CYP2C9CYP2D6CYP3A4BRAFCYP2C19
SCHEMBL3506503 0.83 DYRK1A (0.53) CYP2C9AXLPAK1AAK1
SCHEMBL3705469 0.82 CYP3A4 (0.52) CYP2C9AXLCYP2D6CYP3A4ABL1
SCHEMBL2351343 0.82 CYP2C9 (0.48) CYP2C9AXLCYP3A4ABL1PAK1
SCHEMBL3507602 0.81 CYP2C9 (0.45) CYP2C9AXLCYP2D6CYP3A4PAK1

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-2427462-A1 PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE Plexxikon, Inc. (US) 2012-03-14 — — EP claimed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 — — WO claimed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 — — US claimed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 — — 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 (3 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885AXL 470/4885CYP2D6 3025/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C9 2237/4885AXL 97/4885CYP2D6 2083/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C9 2237/4885AXL 97/4885CYP2D6 2083/4885

“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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