SCHEMBL3769366

SCHEMBL3769366

Nc1cccc2c(N)nc(-c3ncccc3-c3ncnc4cc[nH]c34)cc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.38
EGFR P00533 1/20 0.32
PIK3CA P42336 1/20 0.32
DYRK1A Q13627 1/20 0.32
PDPK1 O15530 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL3774708 0.85 JAK3 (0.41) TGFBR1DYRK1A
SCHEMBL2522143 0.74 ADORA2B (0.36) TGFBR1PDPK1SYK
SCHEMBL5474088 0.72 CLK4 (0.44) TGFBR1EGFR
SCHEMBL3639337 0.68 DYRK1A (0.44) TGFBR1EGFRPIK3CADYRK1A
Hydrazine SCHEMBL15398735 0.61 BRAF (0.41) TGFBR1DYRK1A
Ammonia Solution, Strong SCHEMBL3777371 0.60 TGFBR1 (0.35) TGFBR1PIK3CA
SCHEMBL29702869 0.60 DYRK1A (0.59) EGFRDYRK1A
SCHEMBL397656 0.60 DYRK1A (0.59) EGFRDYRK1A
SCHEMBL28048489 0.59 DYRK1A (0.57) EGFRDYRK1A
Hydrochloric Acid SCHEMBL3353317 0.59 DYRK1A (0.57) EGFRDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 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-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF TGFBR1 2587/4885EGFR 344/4885PIK3CA 59/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF TGFBR1 2640/4885EGFR 388/4885PIK3CA 60/4885

“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.