SCHEMBL10310035

SCHEMBL10310035

[C-]#[N+]CCN(C)C(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2NC(=O)C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.62
PLK1 P53350 12/20 0.60
INSR P06213 4/20 0.59
PTK2 Q05397 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL1184164 0.90 KDR (0.66) KDRPLK1INSRPTK2AURKB
SCHEMBL10310040 0.89 PLK1 (0.69) KDRPLK1
SCHEMBL1184111 0.89 KDR (0.64) KDRPLK1INSRPTK2AURKB
SCHEMBL1184833 0.88 KDR (0.63) KDRPLK1INSRPTK2AURKB
SCHEMBL1183330 0.87 KDR (0.62) KDRPLK1INSRPTK2AURKB
SCHEMBL10310042 0.87 KDR (0.58) KDRPLK1INSRPTK2AURKB
SCHEMBL1184411 0.86 KDR (0.73) KDRPLK1INSRPTK2AURKB
SCHEMBL1185865 0.86 KDR (0.61) KDRPLK1INSRPTK2AURKB
SCHEMBL1185096 0.85 KDR (0.64) KDRPLK1INSRPTK2AURKB
SCHEMBL13998809 0.85 KDR (0.60) KDRPLK1INSRPTK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-7935694-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 KDR 3047/4885PLK1 69/4885INSR 2130/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 KDR 3047/4885PLK1 69/4885INSR 2130/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 KDR 3047/4885PLK1 69/4885INSR 2130/4885

“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.