Sugi Predict

Sugi Predict / Compounds / SCHEMBL1669183

SCHEMBL1669183

SCHEMBL1669183

CC1(C)OCCn2c1nc(-c1cn(Cc3ccc(F)cc3)cn1)c(O)c2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 5/20 0.42
▸ KDM5A P29375 4/20 0.42
▸ KDM4C Q9H3R0 3/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.33
▸ USP2 O75604 7/20 0.33
▸ CASP1 P29466 7/20 0.33
▸ CASP7 P55210 7/20 0.33
▸ HIF1A Q16665 6/20 0.33
▸ CYP2C9 P11712 4/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ HSD17B10 Q99714 6/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL1669667 0.88 KDM5B (0.39) KDM5BKDM5AKDM4CKDM4AALDH1A1
SCHEMBL1669954 0.82 HDAC1 (0.40) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1669100 0.77 ALDH1A1 (0.33) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1669470 0.76 ALDH1A1 (0.37) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1672314 0.76 CYP1A2 (0.33) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL12198932 0.76 CYP3A4 (0.31) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1669226 0.76 XIAP (0.32) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1669239 0.75 ADORA2A (0.32) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1669094 0.75 ALDH1A1 (0.33) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1669200 0.75 NPC1 (0.39) ALDH1A1USP2TSHRRIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US claimed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 — — EP claimed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US claimed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — WO claimed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG KDM5B 1279/4885KDM5A 1123/4885KDM4C 1711/4885

“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.