SCHEMBL6319040

SCHEMBL6319040

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
CAPN9 O14815 1/20 0.39
CASP3 P42574 1/20 0.39
THRA P10827 1/20 0.38
TGM2 P21980 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 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
SCHEMBL6319039 1.00 EGFR (0.42) EGFRMEN1KMT2ACA12CA1
SCHEMBL6328670 0.92 EGFR (0.41) EGFRMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6328675 0.92 EGFR (0.41) EGFRMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6321827 0.91 EGFR (0.44) EGFRMEN1KMT2ACA12CA1
SCHEMBL6321830 0.91 EGFR (0.44) EGFRMEN1KMT2ACA12CA1
SCHEMBL6320471 0.91 EGFR (0.39) EGFRMEN1KMT2ACA12CA1
SCHEMBL6320476 0.91 EGFR (0.39) EGFRMEN1KMT2ACA12CA1
SCHEMBL6325621 0.90 EGFR (0.43) EGFRMEN1KMT2ACA12CA1
SCHEMBL6325618 0.90 EGFR (0.43) EGFRMEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL6318764 0.90 EGFR (0.46) EGFRMEN1KMT2ACA12CA1

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 152/4885MEN1 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.