SCHEMBL3933830

SCHEMBL3933830

CN(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3cccnc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F11 P03951 1/20 0.34
PLK1 P53350 3/20 0.33
TGM2 P21980 1/20 0.33
NR4A2 P43354 1/20 0.33
P2RX3 P56373 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
POLB P06746 1/20 0.32
P2RY14 Q15391 2/20 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
SCHEMBL5859706 1.00 GPR55 (0.36) GPR55NPC1RAB9AHTTMEN1
SCHEMBL3933106 0.95 NPC1 (0.40) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL5858115 0.95 NPC1 (0.40) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL3933136 0.93 PLK1 (0.35) GPR55NPC1RAB9AHTTMEN1
SCHEMBL5857088 0.93 PLK1 (0.35) GPR55NPC1RAB9AHTTMEN1
SCHEMBL5859785 0.91 RAB9A (0.37) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL3935264 0.91 RAB9A (0.37) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL3933935 0.87 AAK1 (0.41) PLK1
SCHEMBL5859784 0.87 AAK1 (0.41) PLK1
SCHEMBL3933828 0.87 GPR55 (0.36) GPR55NPC1RAB9AHTTMEN1

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 GPR55 970/4885NPC1 4723/4885RAB9A 3709/4885

“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.