SCHEMBL6327111

SCHEMBL6327111

COc1cccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 6/20 0.53
NLRP3 Q96P20 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
MITF O75030 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
MCL1 Q07820 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL6327107 1.00 NPC1 (0.53) NPC1RAB9ANLRP3TDP1MEN1
SCHEMBL7087815 0.88 NPC1 (0.48) NPC1RAB9ANLRP3MEN1KMT2A
SCHEMBL7087820 0.88 NPC1 (0.48) NPC1RAB9ANLRP3MEN1KMT2A
SCHEMBL6327059 0.87 TDP1 (0.63) NPC1RAB9ATDP1KMT2AGAA
SCHEMBL6327062 0.87 TDP1 (0.63) NPC1RAB9ATDP1KMT2AGAA
SCHEMBL6326031 0.85 CCKBR (0.47) RAB9ATDP1MEN1KMT2AKCNK3
SCHEMBL6326037 0.85 CCKBR (0.47) RAB9ATDP1MEN1KMT2AKCNK3
SCHEMBL6323095 0.85 ACVR1 (0.42) TDP1MEN1KMT2AKCNK3KCNK9
SCHEMBL6323099 0.85 ACVR1 (0.42) TDP1MEN1KMT2AKCNK3KCNK9
SCHEMBL6320376 0.84 KDR (0.48) TDP1MEN1KMT2AKDM4ESMN1; SMN2

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 NPC1 4477/4885RAB9A 2092/4885NLRP3 4318/4885

“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.