SCHEMBL3935532

SCHEMBL3935532

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3ccc4c(c3)OCO4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
FAAH O00519 1/20 0.39
MELK Q14680 1/20 0.39
MAPT P10636 3/20 0.38
INSR P06213 2/20 0.38
ALK Q9UM73 2/20 0.38
ATM Q13315 1/20 0.37
ABL1 P00519 2/20 0.37

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
SCHEMBL3935535 1.00 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRAAK1NPC1
SCHEMBL3935853 0.92 AAK1 (0.42) ALDH1A1KMT2ATSHRAAK1NPC1
SCHEMBL3933269 0.92 AAK1 (0.42) ALDH1A1KMT2ATSHRAAK1NPC1
SCHEMBL3936701 0.91 AAK1 (0.41) ALDH1A1KMT2ATSHRAAK1NPC1
SCHEMBL3939898 0.91 AAK1 (0.41) ALDH1A1KMT2ATSHRAAK1MELK
SCHEMBL5856794 0.91 AAK1 (0.41) ALDH1A1KMT2ATSHRAAK1MELK
SCHEMBL3935241 0.91 AAK1 (0.41) ALDH1A1KMT2ATSHRAAK1NPC1
SCHEMBL5856625 0.90 AAK1 (0.40) ALDH1A1AAK1NPC1RAB9ASMN1; SMN2
SCHEMBL3940669 0.90 AAK1 (0.40) ALDH1A1AAK1NPC1RAB9ASMN1; SMN2
SCHEMBL3942550 0.90 AAK1 (0.40) ALDH1A1KMT2ATSHRAAK1FAAH

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 6 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 claimed
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 claimed
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 claimed
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 ALDH1A1 2387/4885KMT2A 1839/4885TSHR 966/4885

“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.