SCHEMBL3936042

SCHEMBL3936042

CN(C)CCN(C)C(=O)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3nccnc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
SLC6A7 Q99884 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
NAMPT P43490 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CDK1 P06493 1/20 0.34
CDK7 P50613 1/20 0.34
CDK5 Q00535 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33

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
SCHEMBL5858403 1.00 HRH4 (0.39) HRH4RAB9ANPC1KMT2AMAPT
SCHEMBL3938321 0.91 SLC6A7 (0.37) HRH4RAB9ANPC1KMT2ASLC6A7
SCHEMBL3944120 0.91 NPC1 (0.40) HRH4RAB9ANPC1KMT2AMAPT
SCHEMBL5856626 0.91 NPC1 (0.40) HRH4RAB9ANPC1KMT2AMAPT
SCHEMBL5857611 0.91 SLC6A7 (0.37) HRH4RAB9ANPC1KMT2ASLC6A7
SCHEMBL5857140 0.90 MAPT (0.39) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL3937370 0.90 BACE1 (0.36) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL5859630 0.90 BACE1 (0.36) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL5857136 0.90 MAPT (0.39) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL5859686 0.89 HRH4 (0.35) HRH4RAB9ANPC1KMT2AEGLN1

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 HRH4 973/4885RAB9A 3709/4885NPC1 4723/4885

“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.