SCHEMBL6319446

SCHEMBL6319446

CCOC(=O)CN(C(=O)c1ccccc1)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 1/20 0.47
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PRSS12 P56730 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 2/20 0.35
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ADRB2 P07550 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL6319433 1.00 IDO1 (0.47) IDO1TDO2HPGDRXFP1PRSS12
SCHEMBL6319000 0.94 IDO1 (0.47) IDO1TDO2RXFP1SMN1; SMN2GAA
SCHEMBL6318992 0.94 IDO1 (0.47) IDO1TDO2RXFP1SMN1; SMN2GAA
SCHEMBL6319476 0.93 IDO1 (0.47) IDO1TDO2HPGDRXFP1SMN1; SMN2
SCHEMBL6319480 0.93 IDO1 (0.47) IDO1TDO2HPGDRXFP1SMN1; SMN2
SCHEMBL6326061 0.89 IDO1 (0.48) IDO1TDO2RXFP1SMN1; SMN2GAA
SCHEMBL6325182 0.89 IDO1 (0.48) IDO1TDO2RXFP1SMN1; SMN2GAA
SCHEMBL6319466 0.88 IDO1 (0.39) IDO1TDO2HPGDGAANPC1
SCHEMBL6319470 0.88 IDO1 (0.39) IDO1TDO2HPGDGAANPC1
SCHEMBL6326209 0.88 HPGD (0.39) IDO1TDO2HPGDNPC1RAB9A

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 IDO1 232/4885TDO2 762/4885HPGD 1930/4885

“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.