SCHEMBL6322269

SCHEMBL6322269

CC(=O)NCc1cccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
AKT2 P31751 1/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MPI P34949 1/20 0.41
GALK1 P51570 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
SENP5 Q96HI0 4/20 0.41
SENP2 Q9HC62 4/20 0.41
SENP1 Q9P0U3 4/20 0.41
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL6319709 1.00 PDPK1 (0.43) PDPK1AKT2EGFRALDH1A1SMN1; SMN2
SCHEMBL6328256 0.91 PDPK1 (0.45) PDPK1AKT2EGFRALDH1A1SMN1; SMN2
SCHEMBL6328248 0.91 PDPK1 (0.45) PDPK1AKT2EGFRALDH1A1SMN1; SMN2
SCHEMBL6320201 0.89 ALDH1A1 (0.41) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6322835 0.89 ALDH1A1 (0.41) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6327173 0.89 AKT2 (0.44) AKT2EGFRALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6327176 0.89 AKT2 (0.44) AKT2EGFRALDH1A1SMN1; SMN2MEN1
SCHEMBL6318586 0.88 SMN1; SMN2 (0.51) EGFRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6318621 0.88 SMN1; SMN2 (0.51) EGFRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6328670 0.86 EGFR (0.41) EGFRALDH1A1SMN1; SMN2MEN1KMT2A

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 PDPK1 120/4885AKT2 262/4885EGFR 152/4885

“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.