Sugi Predict

Sugi Predict / Compounds / SCHEMBL5886035

SCHEMBL5886035

SCHEMBL5886035

CC(=O)N(CC#C[Si](C)(C)C)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ AOX1 Q06278 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ KCNN4 O15554 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ POLQ O75417 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ MEP1A Q16819 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
SCHEMBL5885580 0.81 KCNN4 (0.40) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL5036230 0.79 KDM4E (0.51) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL10019242 0.74 KCNN4 (0.41) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL10019239 0.73 KCNN4 (0.41) KDM4EGABRA1GABRG2GABRB3MAPK1
SCHEMBL17265581 0.71 MAPK14 (0.45) MAPK14KCNN4KCNA5GSK3BFFAR1
SCHEMBL29603007 0.71 KCNN4 (0.43) MAPK1MAPK14KCNN4KCNA5GSK3B
SCHEMBL28785615 0.71 KCNN4 (0.43) MAPK1MAPK14KCNN4KCNA5GSK3B
SCHEMBL18338145 0.70 RAB9A (0.51) KCNN4KCNA5GSK3BPOLQPDCD1
SCHEMBL5886079 0.70 ACACB (0.46) NOTUMGRM5
SCHEMBL4587683 0.70 KCNN4 (0.45) KDM4EGABRA1GABRG2GABRB3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 — — US disclosed
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 — — EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 — — WO disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 — — 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 KDM4E 3772/4885GABRA1 954/4885GABRG2 2027/4885

“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.