SCHEMBL5430952

SCHEMBL5430952

Cc1ccc(C(=O)NCC#N)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.50
EGLN1 Q9GZT9 1/20 0.49
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 2/20 0.42
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
P2RX7 Q99572 1/20 0.40
BTK Q06187 1/20 0.40
CTSL P07711 2/20 0.39
CTSK P43235 2/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL30027960 0.83 EGFR (0.54) EGFRKDM4EALDH1A1HPGDBRD4
SCHEMBL2473897 0.80 EGFR (0.51) EGFREGLN1KDM4EALDH1A1HPGD
SCHEMBL949704 0.78 EGFR (0.46) EGFRKDM4EALDH1A1HPGDKMT2A
SCHEMBL609574 0.78 EGFR (0.52) EGFREGLN1KDM4EALDH1A1BRD4
SCHEMBL2474259 0.78 EGFR (0.49) EGFRBRD4P2RX7KMT2ASMN1; SMN2
SCHEMBL14469060 0.77 EGFR (0.57) EGFRKDM4EALDH1A1BRD4SMN1; SMN2
SCHEMBL6988044 0.77 EGFR (0.58) EGFRKDM4EALDH1A1BRD4SMN1; SMN2
SCHEMBL5423451 0.77 EGFR (0.48) EGFRKDM4EP2RX7KMT2A
SCHEMBL5433157 0.77 BRD4 (0.53) EGFRALDH1A1HPGDBRD4SMN1; SMN2
SCHEMBL2472437 0.75 EGFR (0.47) EGFRKDM4EALDH1A1BRD4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032527-A1 METHOD OF INHIBITING ANGIOGENESIS HAVIV FORTUNA 2007-02-08 US claimed
US-20040116479-A1 Method of inhibiting angiogenesis ABBOTT LABORATORIES 2004-06-17 US claimed
WO-2004032908-A9 METHOD OF INHIBITING ANGIOGENESIS ABBOTT LAB (US) 2004-05-27 WO claimed
US-20040067985-A1 Method of inhibiting angiogenesis ABBOT LABORATORIES 2004-04-08 US claimed
US-20070043089-A1 METHOD OF INHIBITING ANGIOGENESIS HAVIV FORTUNA 2007-02-22 US disclosed
US-20070032527-A1 METHOD OF INHIBITING ANGIOGENESIS HAVIV FORTUNA 2007-02-08 US disclosed
EP-1551404-A2 METHOD OF INHIBITING ANGIOGENESIS Abbott Laboratories (US) 2005-07-13 EP disclosed
US-20040116479-A1 Method of inhibiting angiogenesis ABBOTT LABORATORIES 2004-06-17 US disclosed
WO-2004032908-A9 METHOD OF INHIBITING ANGIOGENESIS ABBOTT LAB (US) 2004-05-27 WO disclosed
WO-2004032908-A2 METHOD OF INHIBITING ANGIOGENESIS ABBOTT LABORATORIES (US) 2004-04-22 WO disclosed
US-20040067985-A1 Method of inhibiting angiogenesis ABBOT LABORATORIES 2004-04-08 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-20070032527-A1 METHOD OF INHIBITING ANGIOGENESIS PGF, VEGFA, FLT4 EGFR 414/4885EGLN1 71/4885KDM4E 3402/4885
US-20070043089-A1 METHOD OF INHIBITING ANGIOGENESIS PGF, VEGFA, FLT4 EGFR 414/4885EGLN1 71/4885KDM4E 3402/4885
US-20040067985-A1 Method of inhibiting angiogenesis VEGFA, PGF, FLT4 EGFR 566/4885EGLN1 60/4885KDM4E 3429/4885

“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.