SCHEMBL4774082

SCHEMBL4774082

O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccnc1Nc1cccc2c1CNC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
PDPK1 O15530 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43

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
SCHEMBL4774058 0.93 KDR (0.56) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL4767610 0.92 KDR (0.48) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL4771868 0.89 TOP1 (0.46) KDRPDPK1MEN1KMT2AMAPT
SCHEMBL3951692 0.89 TOP1 (0.46) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL4768281 0.85 KDR (0.55) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4765173 0.85 KDR (0.49) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL3955543 0.85 TUBB4A (0.45) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL3953548 0.82 RXFP1 (0.47) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL3960914 0.81 TOP1 (0.46) KDRPDPK1TUBB4ATUBBTUBA3C
SCHEMBL3955743 0.81 PDPK1 (0.43) KDRPDPK1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 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-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885PDPK1 2388/4885TUBB4A 969/4885

“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.