SCHEMBL3933455

SCHEMBL3933455

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(C#N)ccc43)c3ccc4c(c3)OCCO4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL3933461 1.00 AAK1 (0.40) AAK1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3933352 0.96 AAK1 (0.40) AAK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3933357 0.96 AAK1 (0.40) AAK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3937823 0.93 AAK1 (0.39) AAK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3935449 0.93 AAK1 (0.39) AAK1SMN1; SMN2NPC1RAB9AABL1
SCHEMBL3935444 0.93 AAK1 (0.39) AAK1SMN1; SMN2NPC1RAB9AABL1
SCHEMBL3935880 0.93 AAK1 (0.39) AAK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3933537 0.90 AAK1 (0.51) AAK1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3933534 0.90 AAK1 (0.51) AAK1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL5856778 0.89 AAK1 (0.39) AAK1ABL1NTRK1CSF1RRET

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 AAK1 1459/4885SMN1; SMN2 4299/4885NPC1 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.