SCHEMBL12409295

SCHEMBL12409295

CCC(CC)c1cc(C)nc2c(-c3sc(C)nc3Cl)c(C)nn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2178265 0.92 CRHR1 (0.39) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2932988 0.89 CRHR1 (0.38) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL20756845 0.87 CRHR1 (0.38) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2494970 0.86 CRHR1 (0.38) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL20756306 0.85 CRHR1 (0.39) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL25490375 0.84 CRHR1 (0.49) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL544959 0.83 CRHR1 (0.40) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2182127 0.83 CRHR1 (0.61) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2497119 0.83 HPGD (0.35) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2931270 0.82 HPGD (0.39) CRHR1ALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563718-B2 Thiazolyl-pyrazolopyrimidine compounds as synthetic intermediates and related synthetic processes ELI LILLY AND COMPANY (US) 2013-10-22 US disclosed
US-20110166345-A1 THIAZOLYL-PYRAZOLOPYRIMIDINE COMPOUNDS AS SYNTHETIC INTERMEDIATES AND RELATED SYNTHETIC PROCESSES ELI LILLY AND COMPANY (US) 2011-07-07 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 (1 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-20110166345-A1 THIAZOLYL-PYRAZOLOPYRIMIDINE COMPOUNDS AS SYNTHETIC INTERMEDIATES AND RELATED SYNTHETIC PROCESSES FDPS, DHFR, TPMT CRHR1 4587/4885ALDH1A1 1219/4885HPGD 693/4885

“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.