SCHEMBL6322247

SCHEMBL6322247

Cc1cccc(/C(Nc2ccc(CN(C)C)cc2)=C2/C(=O)Nc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
TP53 P04637 4/20 0.39
MEN1 O00255 2/20 0.39
FFAR1 O14842 1/20 0.39
GLA P06280 1/20 0.39
ROCK2 O75116 6/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCKBR P32239 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
SCHEMBL6322253 1.00 KMT2A (0.40) KMT2ATP53MEN1FFAR1GLA
SCHEMBL6323531 0.90 IDO1 (0.40) ROCK2MAPTIDO1TDO2ALDH1A1
SCHEMBL6323528 0.90 IDO1 (0.40) ROCK2MAPTIDO1TDO2ALDH1A1
SCHEMBL30979384 0.90 IDO1 (0.40) ROCK2MAPTIDO1TDO2ALDH1A1
SCHEMBL6318597 0.89 KDR (0.43) ROCK2KDM4ECCKBR
SCHEMBL6318598 0.89 KDR (0.43) ROCK2KDM4ECCKBR
SCHEMBL6326854 0.89 MAPT (0.41) KMT2ATP53MEN1ROCK2MAPT
SCHEMBL6326859 0.89 MAPT (0.41) KMT2ATP53MEN1ROCK2MAPT
SCHEMBL6321670 0.87 TDP1 (0.45) KMT2ATP53MEN1ROCK2MAPT
SCHEMBL6321646 0.87 TDP1 (0.45) KMT2ATP53MEN1ROCK2MAPT

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 KMT2A 750/4885TP53 915/4885MEN1 3345/4885

“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.