SCHEMBL4493811

SCHEMBL4493811

CN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MELK Q14680 1/20 0.41
FAAH O00519 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4493815 1.00 DRD4 (0.45) DRD4MEN1KMT2AMELKFAAH
SCHEMBL4496540 0.92 MELK (0.42) DRD4MELKAAK1NAMPTALDH1A1
SCHEMBL4496542 0.92 MELK (0.42) DRD4MELKAAK1NAMPTALDH1A1
SCHEMBL4501633 0.92 MELK (0.48) MELKAAK1ALDH1A1MAPK1
SCHEMBL4501637 0.92 MELK (0.48) MELKAAK1ALDH1A1MAPK1
SCHEMBL4492883 0.92 MELK (0.41) DRD4MELKAAK1NAMPTALDH1A1
SCHEMBL4492885 0.92 MELK (0.41) DRD4MELKAAK1NAMPTALDH1A1
SCHEMBL4495824 0.92 DRD4 (0.52) DRD4MEN1KMT2AFAAHLMNA
SCHEMBL4495827 0.92 DRD4 (0.52) DRD4MEN1KMT2AFAAHLMNA
SCHEMBL4504920 0.91 MELK (0.40) DRD4MELKAAK1NAMPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR DRD4 1051/4885MEN1 1288/4885KMT2A 3530/4885

“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.