SCHEMBL14443550

SCHEMBL14443550

Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 1.00
▸ FBP1 P09467 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.60
▸ GAK O14976 1/20 0.60
▸ MAPK13 O15264 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ ERBB2 P04626 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CDK1 P06493 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ SRC P12931 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ EPHB2 P29323 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ MAPK12 P53778 1/20 0.60

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
SCHEMBL14040968 0.83 EGFR (1.00) EGFRFBP1
SCHEMBL17931472 0.83 EGFR (1.00) EGFRFBP1KDM4EGAKMAPK13
SCHEMBL29110509 0.81 EGFR (0.67) EGFRFBP1ERBB2EPHB2ABCG2
SCHEMBL4348523 0.80 FBP1 (1.00) EGFRFBP1KDM4EGAKMAPK13
SCHEMBL31061549 0.80 FBP1 (1.00) EGFRFBP1KDM4EGAKMAPK13
Hydrochloric Acid SCHEMBL7218078 0.79 FBP1 (0.97) EGFRFBP1KDM4EGAKMAPK13
SCHEMBL15070939 0.78 EGFR (0.71) EGFRFBP1KDM4EGAKMAPK13
SCHEMBL5845291 0.75 EGFR (1.00) EGFRFBP1KDM4EGAKMAPK13
SCHEMBL7216369 0.75 EGFR (1.00) EGFRFBP1KDM4EGAKMAPK13
SCHEMBL29608178 0.75 EGFR (1.00) EGFRFBP1KDM4EGAKMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 — — US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 — — 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 (1 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-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 EGFR 382/4885FBP1 3005/4885KDM4E 774/4885

“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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