SCHEMBL6320107

SCHEMBL6320107

CN(C)CCN(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
KDR P35968 2/20 0.35
LTA4H P09960 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MST1R Q04912 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
SENP1 Q9P0U3 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6320110 1.00 IDO1 (0.38) IDO1TDO2KDRLTA4HMEN1
SCHEMBL6322468 0.93 IDO1 (0.38) IDO1TDO2KDRMEN1NPC1
SCHEMBL6322615 0.93 IDO1 (0.38) IDO1TDO2KDRMEN1NPC1
Hydrochloric Acid SCHEMBL6325522 0.91 IDO1 (0.41) IDO1TDO2KDRMEN1NPC1
Hydrochloric Acid SCHEMBL6325525 0.91 IDO1 (0.41) IDO1TDO2KDRMEN1NPC1
SCHEMBL2567811 0.90 BACE1 (0.36) LTA4HHTTSENP1MAPT
SCHEMBL2567813 0.90 BACE1 (0.36) LTA4HHTTSENP1MAPT
SCHEMBL4481828 0.90 CCNB2 (0.33) LTA4HMEN1NPC1KMT2APOLB
SCHEMBL4481832 0.90 CCNB2 (0.33) LTA4HMEN1NPC1KMT2APOLB
SCHEMBL6326874 0.90 IDO1 (0.39) IDO1TDO2KDRMEN1NPC1

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 762/4885KDR 448/4885

“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.