SCHEMBL10095056

SCHEMBL10095056

COc1nc2n(c1-c1ccccn1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
NR1H2 P55055 1/20 0.43
POLB P06746 1/20 0.42
USP30 Q70CQ3 1/20 0.42
TACR3 P29371 5/20 0.41
MAPK1 P28482 1/20 0.41
GRM5 P41594 2/20 0.40
MAPT P10636 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
GRM1 Q13255 1/20 0.39
P2RX7 Q99572 2/20 0.39
ACHE P22303 1/20 0.39
MMP13 P45452 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABL1 P00519 1/20 0.38

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) GPR119NR1H2POLBUSP30TACR3
SCHEMBL10095054 0.79 PDK2 (0.48) GPR119NR1H2POLBUSP30TACR3
SCHEMBL112363 0.79 TACR3 (0.67) TACR3P2RX7CYP1A2CYP2D6CYP2C9
SCHEMBL20139779 0.74 TSHR (0.62) NR1H2POLBMAPK1MAPT
SCHEMBL13575666 0.74 CKS1B (0.48) GPR119NR1H2MAPK1CKS1BSKP1
SCHEMBL10095059 0.73 CKS1B (0.47) GPR119NR1H2MAPK1CKS1BSKP1
SCHEMBL10095061 0.73 CKS1B (0.47) GPR119NR1H2POLBMAPK1CKS1B
SCHEMBL10095062 0.72 P2RX7 (0.59) NR1H2USP30MAPK1CKS1BSKP1
SCHEMBL30269933 0.71 GPR119 (0.49) GPR119POLBUSP30MAPK1GRM5
SCHEMBL4005918 0.71 GPR119 (0.49) GPR119POLBUSP30MAPK1GRM5

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-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-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 GPR119 1545/4885NR1H2 1112/4885POLB 1498/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK GPR119 1545/4885NR1H2 1112/4885POLB 1498/4885

“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.