SCHEMBL3943285

SCHEMBL3943285

Cn1cnc2cc(/C(Nc3ccc(C(C)(C)N)cc3)=C3/C(=O)Nc4ccccc43)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.35
IDH1 O75874 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PRNP P04156 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.34
FGFR1 P11362 1/20 0.34
AKT1 P31749 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL3939197 0.91 NPC1 (0.48) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL3933896 0.86 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3943289 0.84 SLC2A1 (0.42) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL3943293 0.84 SLC2A1 (0.42) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL8012579 0.84 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL8012581 0.84 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL3933391 0.82 MAPT (0.39) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6323523 0.80 TDP1 (0.40) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL3938265 0.80 NPC1 (0.43) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL8012113 0.78 NOTUM (0.44) NPC1RAB9ATP53SMN1; SMN2ALDH1A1

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 NPC1 4723/4885RAB9A 3709/4885TP53 398/4885

“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.