SCHEMBL10095071

SCHEMBL10095071

Cc1cc(-n2ncc3c2CCN(C(=O)OC(C)(C)C)C3)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.53
SLC34A1 Q06495 3/20 0.46
ESR2 Q92731 1/20 0.45
MAPT P10636 2/20 0.45
NR1H2 P55055 1/20 0.44
GPR119 Q8TDV5 2/20 0.42
PDK2 Q15119 3/20 0.41
THRB P10828 1/20 0.39
IGF1R P08069 1/20 0.38
SPR P35270 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10095073 0.79 GPR119 (0.53) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL10095072 0.78 HPGDS (0.54) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL1016798 0.77 HPGDS (0.51) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL10095070 0.77 MAPT (0.62) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL20792775 0.77 HPGDS (0.57) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL1779430 0.77 PDK2 (0.66) HPGDSESR2MAPTNR1H2PDK2
SCHEMBL16217166 0.76 ESR2 (0.52) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL16836123 0.75 NR1H2 (0.58) HPGDSSLC34A1ESR2MAPTNR1H2
SCHEMBL20792752 0.75 PDK2 (0.69) HPGDSSLC34A1ESR2MAPTPDK2
SCHEMBL18446204 0.75 PDK2 (0.67) HPGDSESR2MAPTPDK2THRB

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 HPGDS 530/4885SLC34A1 4217/4885ESR2 2680/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK HPGDS 530/4885SLC34A1 4217/4885ESR2 2680/4885

“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.