Sugi Predict

Sugi Predict / Compounds / SCHEMBL10095054

SCHEMBL10095054

SCHEMBL10095054

CC(C)(C)OC(=O)N1CCn2c(-c3ccccn3)cnc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.48
▸ TACR3 P29371 5/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ P2RX7 Q99572 6/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL112363 0.84 TACR3 (0.67) TACR3P2RX7CYP1A2CYP2D6CYP2C9
SCHEMBL29261254 0.84 P2RX7 (0.44) PDK2POLBP2RX7NR1H2
SCHEMBL30980067 0.79 ADORA2A (0.48) PDK2MAPK1GPR119POLBP2RX7
SCHEMBL10095056 0.79 GPR119 (0.43) TACR3MAPK1USP30GPR119POLB
SCHEMBL10095063 0.78 P2RX7 (0.44) TACR3MAPK1USP30GPR119POLB
SCHEMBL17790245 0.77 P2RX7 (0.48) PDK2MAPK1GPR119POLBP2RX7
SCHEMBL29575643 0.77 PDK2 (0.50) PDK2GPR119POLBP2RX7NR1H2
SCHEMBL28886725 0.76 PDK2 (0.47) PDK2USP30GPR119P2RX7NR1H2
SCHEMBL30980063 0.76 PDK2 (0.42) PDK2MAPK1GPR119POLBP2RX7
SCHEMBL10007648 0.76 P2RX7 (0.51) PDK2MAPK1GPR119POLBP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 — — EP disclosed
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-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 PDK2 43/4885TACR3 3579/4885MAPK1 3857/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK PDK2 43/4885TACR3 3579/4885MAPK1 3857/4885

“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.