SCHEMBL6320476

SCHEMBL6320476

CN(C)C(=O)CCNCc1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CAPN9 O14815 1/20 0.36
CASP3 P42574 1/20 0.36
TGM2 P21980 1/20 0.36
THRA P10827 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
GSK3B P49841 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6320471 1.00 EGFR (0.39) EGFRCA12CA1CA2CA9
SCHEMBL6322145 0.92 EGFR (0.38) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6322134 0.92 EGFR (0.38) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6319039 0.91 EGFR (0.42) EGFRCA12CA1CA2CA9
SCHEMBL6319040 0.91 EGFR (0.42) EGFRCA12CA1CA2CA9
SCHEMBL6322546 0.89 MEN1 (0.45) EGFRCA12CA1CA2CA9
SCHEMBL6322537 0.89 MEN1 (0.45) EGFRCA12CA1CA2CA9
SCHEMBL6325621 0.88 EGFR (0.43) EGFRCA12CA1CA2CA9
SCHEMBL6325618 0.88 EGFR (0.43) EGFRCA12CA1CA2CA9
SCHEMBL6321830 0.88 EGFR (0.44) EGFRCA12CA1CA2CA9

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-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 EGFR 152/4885CA12 4558/4885CA1 3035/4885

“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.