SCHEMBL2882905

SCHEMBL2882905

COc1ncc(-c2cnc3[nH]cc(C(=O)c4cccc(N)c4F)c3c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C9 P11712 3/20 0.54
▸ AXL P30530 5/20 0.50
▸ AAK1 Q2M2I8 1/20 0.50
▸ PAK1 Q13153 3/20 0.45
▸ CYP2C19 P33261 2/20 0.43
▸ BRAF P15056 1/20 0.43
▸ MAP4K1 Q92918 1/20 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
SCHEMBL2882894 0.90 CYP2D6 (0.59) CYP2D6CYP2C9AXLAAK1PAK1
SCHEMBL3506675 0.86 AXL (0.58) CYP2C9AXLAAK1PAK1
SCHEMBL294277 0.86 CYP2C9 (0.67) CYP2D6CYP2C9AXLAAK1PAK1
SCHEMBL3507602 0.85 CYP2C9 (0.45) CYP2D6CYP2C9AXLAAK1PAK1
SCHEMBL298234 0.85 CYP2C9 (0.67) CYP2D6CYP2C9CYP2C19BRAF
SCHEMBL2357395 0.84 BRAF (0.53) CYP2C9AXLPAK1CYP2C19BRAF
SCHEMBL15667584 0.84 CYP2D6 (0.57) CYP2D6CYP2C9AXLAAK1PAK1
SCHEMBL3506503 0.83 DYRK1A (0.53) CYP2C9AXLAAK1PAK1
SCHEMBL15667586 0.82 CYP2D6 (0.64) CYP2D6CYP2C9AAK1CYP2C19BRAF
SCHEMBL3705469 0.82 CYP3A4 (0.52) CYP2D6CYP2C9AXLAAK1PAK1

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
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-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 — — WO 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 CYP2D6 3025/4885CYP2C9 2176/4885AXL 470/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2D6 2083/4885CYP2C9 2237/4885AXL 97/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2D6 2083/4885CYP2C9 2237/4885AXL 97/4885

“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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