SCHEMBL2157153

SCHEMBL2157153

CC1(O)CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
GPR119 Q8TDV5 7/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CHRM1 P11229 1/20 0.42
EPHX2 P34913 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
SCHEMBL18609193 0.93 HPGD (0.46) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL4296400 0.91 HPGD (0.43) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL4296393 0.91 HPGD (0.43) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL4827509 0.91 HPGD (0.49) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL13661300 0.87 HPGD (0.48) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL2673968 0.86 NR1H2 (0.44) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL29019548 0.86 HPGD (0.45) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL78071 0.85 USP2 (0.55) HPGDRECQLEPHX1GPR119USP2
SCHEMBL27137547 0.85 HPGD (0.47) HPGDRECQLEPHX1HRH3GPR119
SCHEMBL994288 0.84 HPGD (0.58) HPGDRECQLEPHX1HRH3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 EP disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US 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 (3 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-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B HPGD 2453/4885RECQL 205/4885EPHX1 1663/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B HPGD 2453/4885RECQL 205/4885EPHX1 1663/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B HPGD 2453/4885RECQL 205/4885EPHX1 1663/4885

“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.