Sugi Predict

Sugi Predict / Compounds / SCHEMBL13097705

SCHEMBL13097705

SCHEMBL13097705

CC(C)c1cnc(C#N)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ LRRK2 Q5S007 1/20 0.40
▸ BCAT1 P54687 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ ERBB2 P04626 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL18368394 0.81 CACNA2D1 (0.43) ALDH1A1KDM4EPOLBLRRK2ERBB2
SCHEMBL13797361 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBLRRK2HPGD
SCHEMBL13146691 0.77 KDM4E (0.61) ALDH1A1KDM4EPOLBLRRK2BCAT1
SCHEMBL22035507 0.75 GABRA1 (0.35) ALDH1A1KDM4ELRRK2HPGDHSD17B10
SCHEMBL1695165 0.74 GABRA1 (0.43) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL2354952 0.73 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBBCAT1MEN1
SCHEMBL755947 0.73 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBLRRK2BCAT1
SCHEMBL12197723 0.72 CYP2A6 (0.42) KDM4EHPGDGABRA1GABRB2GABRB1
SCHEMBL21105134 0.71 GABRA1 (0.45) HPGDGABRA1GABRB2GABRB1GABRG2
SCHEMBL13797362 0.71 KDM5A (0.38) ALDH1A1KDM4EPOLBKDM5AERBB2

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-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMAPANY (US) 2010-10-07 — — US disclosed
US-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMAPANY (US) 2010-10-07 — — US disclosed
US-7468439-B2 Alkylene bridged sultam compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-23 — — US disclosed
US-20080090883-A1 ALKYLENE BRIDGED SULTAM COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2008-04-17 — — 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 (2 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-20080090883-A1 ALKYLENE BRIDGED SULTAM COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION SULT2A1, SULT1A1, NR5A1 ALDH1A1 841/4885KDM4E 2717/4885POLB 1506/4885
US-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA ALDH1A1 865/4885KDM4E 3249/4885POLB 3158/4885

“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.