Sugi Predict

Sugi Predict / Compounds / SCHEMBL52711

SCHEMBL52711

SCHEMBL52711

O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ CALCA P06881 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 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
SCHEMBL52093 0.91 KCNH2 (0.40) KCNH2CYP2C9CALCAKMT2AMEN1
SCHEMBL52214 0.90 KCNH2 (0.42) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL52148 0.88 KCNH2 (0.47) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL52808 0.88 CYP2C9 (0.49) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL52191 0.87 KCNH2 (0.45) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL52167 0.87 KCNH2 (0.45) KCNH2CYP2C9KDM4ECALCAMAPT
SCHEMBL52277 0.87 CYP2C9 (0.48) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL52544 0.87 KCNH2 (0.45) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL51771 0.86 KCNH2 (0.44) KCNH2CYP2C9CALCAMAPTKMT2A
SCHEMBL51995 0.86 KCNH2 (0.44) KCNH2CYP2C9CALCAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 — — EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 — — EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 — — WO disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 — — WO 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG KCNH2 3969/4885CYP2C9 602/4885KDM4E 1609/4885

“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.