SCHEMBL3935371

SCHEMBL3935371

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc([N+](=O)[O-])ccc43)c3ccc4c(c3)OCO4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
P2RX5 Q93086 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 6/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
TLR9 Q9NR96 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
SCHEMBL3935377 1.00 AAK1 (0.40) AAK1P2RX5P2RX4P2RX7P2RX2
SCHEMBL3931568 0.96 AAK1 (0.40) AAK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3931565 0.96 AAK1 (0.40) AAK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3935853 0.90 AAK1 (0.42) AAK1P2RX4RAB9ANPC1SMN1; SMN2
SCHEMBL3933269 0.90 AAK1 (0.42) AAK1P2RX4RAB9ANPC1SMN1; SMN2
SCHEMBL5858197 0.89 AAK1 (0.39) AAK1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3935535 0.89 ALDH1A1 (0.43) AAK1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3935241 0.89 AAK1 (0.41) AAK1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3935532 0.89 ALDH1A1 (0.43) AAK1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3936701 0.89 AAK1 (0.41) AAK1RAB9ANPC1SMN1; SMN2TP53

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 1459/4885P2RX5 824/4885P2RX4 1228/4885

“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.