SCHEMBL10095058

SCHEMBL10095058

COc1nc2n(c1-c1ccccn1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
CBFB Q13951 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
PLD1 Q13393 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10095060 0.83 HTR7 (0.42) TGFBR1HTR7HTR1ASMN1; SMN2HTR2A
SCHEMBL10095057 0.82 PDCD1 (0.41) TGFBR1SMN1; SMN2HTR2AHTR2CALDH1A1
SCHEMBL10095065 0.78 HTR7 (0.39) TGFBR1HTR7HTR1ASMN1; SMN2HTR2A
SCHEMBL106779 0.72 TACR3 (0.52) HTR7HTR1ASMN1; SMN2TP53CYP2D6
SCHEMBL10298806 0.72 HTR7 (0.46) HTR7HTR1ASMN1; SMN2HTR2AHTR2C
Hydrochloric Acid SCHEMBL2565514 0.70 TACR3 (0.51) HTR7HTR1ASMN1; SMN2TP53CYP2D6
SCHEMBL10095056 0.70 GPR119 (0.43) CYP2D6CYP2C19POLBMAPT
SCHEMBL1104770 0.70 HTR2C (0.46) HTR1AHTR2AHTR2CALDH1A1TP53
SCHEMBL928949 0.67 HTR7 (0.47) HTR7HTR1ASMN1; SMN2HTR2AHTR2C
SCHEMBL505515 0.67 PDCD1 (0.53) HTR7HTR1ASMN1; SMN2ALDH1A1TP53

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 TGFBR1 4642/4885HTR7 2921/4885HTR1A 4661/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK TGFBR1 4642/4885HTR7 2921/4885HTR1A 4661/4885

“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.