SCHEMBL6320536

SCHEMBL6320536

CN(C)Cc1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
GALK1 P51570 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
THRA P10827 1/20 0.39
TGM2 P21980 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL6320531 1.00 EGFR (0.45) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6325927 0.94 EGFR (0.47) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6325929 0.94 EGFR (0.47) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6325967 0.94 EGFR (0.44) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6324697 0.94 EGFR (0.44) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6322258 0.92 CRHBP (0.50) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6322260 0.92 CRHBP (0.50) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6320070 0.92 EGFR (0.44) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6320067 0.92 EGFR (0.44) EGFRMEN1KMT2ACAPN9CASP3
SCHEMBL6320508 0.91 EGFR (0.42) EGFRMEN1KMT2ACAPN9CASP3

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 8 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 claimed
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 claimed
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 claimed
CN-111285872-B Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-05-17 CN disclosed
CN-111285872-A Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2020-06-16 CN disclosed
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 152/4885MEN1 3345/4885KMT2A 750/4885

“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.