SCHEMBL6325833

SCHEMBL6325833

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C(/Nc1ccc(CNc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
EGFR P00533 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.43
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
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 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GALK1 P51570 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL6325834 1.00 PTPRF (0.50) PTPRFPTPN2PTPN1PTPN11EGFR
SCHEMBL6320400 0.91 GSK3B (0.43) PTPRFPTPN2PTPN1PTPN11EGFR
SCHEMBL6320405 0.91 GSK3B (0.43) PTPRFPTPN2PTPN1PTPN11EGFR
SCHEMBL6319019 0.91 EGFR (0.48) PTPRFPTPN2PTPN1PTPN11EGFR
Hydrochloric Acid SCHEMBL6318764 0.91 EGFR (0.46) PTPRFPTPN2PTPN1PTPN11EGFR
SCHEMBL6319029 0.91 EGFR (0.48) PTPRFPTPN2PTPN1PTPN11EGFR
Hydrochloric Acid SCHEMBL6318746 0.91 EGFR (0.46) PTPRFPTPN2PTPN1PTPN11EGFR
SCHEMBL29642973 0.90 EGFR (0.55) EGFRMEN1KMT2AMAPTCAPN9
SCHEMBL28414296 0.90 EGFR (0.55) EGFRMEN1KMT2AMAPTCAPN9
Hydrochloric Acid SCHEMBL6319468 0.90 EGFR (0.47) PTPRFPTPN2PTPN1PTPN11EGFR

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 PTPRF 666/4885PTPN2 695/4885PTPN1 429/4885

“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.