SCHEMBL5859686

SCHEMBL5859686

CN(C)CCN(C)C(=O)c1cc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3nccnc3c2)cn1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
RPS6KA2 Q15349 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA3 P51812 1/20 0.33
EGLN1 Q9GZT9 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
F11 P03951 4/20 0.31
KLKB1 P03952 3/20 0.31
SYK P43405 1/20 0.30
F10 P00742 1/20 0.30
CYP3A4 P08684 1/20 0.30
PLK1 P53350 2/20 0.30

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
SCHEMBL3934534 1.00 HRH4 (0.35) HRH4RPS6KA2NPC1RAB9AKMT2A
SCHEMBL3932056 0.91 OGA (0.33) NPC1RAB9AKMT2A
SCHEMBL5858902 0.91 OGA (0.33) NPC1RAB9AKMT2A
SCHEMBL5858403 0.89 HRH4 (0.39) HRH4NPC1RAB9AKMT2AEGLN1
SCHEMBL3936042 0.89 HRH4 (0.39) HRH4NPC1RAB9AKMT2AEGLN1
SCHEMBL5858144 0.85 UTS2R (0.38) NPC1RAB9AKMT2A
SCHEMBL3942426 0.85 UTS2R (0.38) NPC1RAB9AKMT2A
SCHEMBL3938186 0.85 POLB (0.39) NPC1RAB9AKMT2A
SCHEMBL5856628 0.85 POLB (0.39) NPC1RAB9AKMT2A
SCHEMBL3942740 0.84 HRH4 (0.33) HRH4RPS6KA2RPS6KA3TLR9TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH4 973/4885RPS6KA2 838/4885NPC1 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.