Sugi Predict

Sugi Predict / Compounds / SCHEMBL1669667

SCHEMBL1669667

SCHEMBL1669667

COc1c(-c2cn(Cc3ccc(F)cc3)cn2)nc2n(c1=O)CCOC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 3/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ DRD4 P21917 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ CASP1 P29466 6/20 0.33
▸ CASP7 P55210 6/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HIF1A Q16665 5/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ USP2 O75604 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 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
SCHEMBL1669183 0.88 KDM5B (0.42) KDM5BKDM4CKDM4AKDM5ACASP1
SCHEMBL12225288 0.69 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL12225286 0.68 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2ALMNA
SCHEMBL12225704 0.68 APLNR (0.37) THRB
SCHEMBL12198954 0.67 SMN1; SMN2 (0.36) CASP1CASP7CYP3A4ALDH1A1HIF1A
SCHEMBL1669797 0.67 MAPT (0.37) CASP1CASP7CYP3A4ALDH1A1CYP1A2
SCHEMBL1669470 0.66 ALDH1A1 (0.37) CASP1CASP7CYP3A4ALDH1A1HIF1A
SCHEMBL13917567 0.66 CYP2C9 (0.36) CYP2C9
SCHEMBL12198932 0.66 CYP3A4 (0.31) CYP3A4ALDH1A1CYP1A2GLAMEN1
SCHEMBL1669226 0.66 XIAP (0.32) CASP1CASP7CYP3A4ALDH1A1HIF1A

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 9 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 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
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 — — EP 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
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 1279/4885KDM4C 1711/4885KDM4A 1095/4885

“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.