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Sugi Predict / Compounds / SCHEMBL10095062

SCHEMBL10095062

SCHEMBL10095062

CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.59
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ LIPG Q9Y5X9 1/20 0.45
▸ PDK2 Q15119 2/20 0.44
▸ GBA1 P04062 2/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL10095063 0.85 P2RX7 (0.44) P2RX7CKS1BSKP1SKP2LIPG
SCHEMBL13575666 0.85 CKS1B (0.48) P2RX7CKS1BSKP1SKP2LIPG
SCHEMBL10095061 0.84 CKS1B (0.47) P2RX7CKS1BSKP1SKP2LIPG
SCHEMBL10095059 0.84 CKS1B (0.47) P2RX7CKS1BSKP1SKP2LIPG
SCHEMBL23549901 0.80 P2RX7 (0.50) P2RX7NR1H2HDAC4HDAC6
SCHEMBL5935825 0.79 P2RX7 (0.53) P2RX7LIPGNR1H2HDAC4MAPK1
SCHEMBL13575642 0.79 NR1H2 (0.42) P2RX7LIPGNR1H2HDAC4MAPK1
SCHEMBL28379888 0.78 NR1H2 (0.41) P2RX7LIPGNR1H2HDAC4MAPK1
SCHEMBL20157515 0.77 PDK2 (0.64) P2RX7CKS1BSKP1SKP2PDK2
SCHEMBL20139779 0.77 TSHR (0.62) NR1H2MAPK1

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-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 — — 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 (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-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK P2RX7 3549/4885CKS1B 1161/4885SKP1 831/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK P2RX7 3549/4885CKS1B 1161/4885SKP1 831/4885

“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.