SCHEMBL6320290

SCHEMBL6320290

CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
MPI P34949 1/20 0.42
GALK1 P51570 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 2/20 0.40
CAPN9 O14815 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
TGM2 P21980 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6320720 1.00 EGFR (0.44) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6320531 0.91 EGFR (0.45) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6320536 0.91 EGFR (0.45) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6322835 0.88 ALDH1A1 (0.41) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6320201 0.88 ALDH1A1 (0.41) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6325967 0.86 EGFR (0.44) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6324697 0.86 EGFR (0.44) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6319709 0.86 PDPK1 (0.43) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL6322269 0.86 PDPK1 (0.43) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL29642973 0.86 EGFR (0.55) EGFRMEN1KMT2AALDH1A1MAPT

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.