SCHEMBL2494028

SCHEMBL2494028

CCC(CC)c1cc(C)nc2c(-c3cnc(-c4ncnn4C)s3)c(C)nn12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
CRHR1 P34998 12/20 0.34
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPY1R P25929 1/20 0.32

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
SCHEMBL2495097 0.92 CRHR1 (0.35) HPGDPOLBCRHR1KDM4EALDH1A1
SCHEMBL2931720 0.86 HPGD (0.35) HPGDPOLBCRHR1MEN1ALOX15
SCHEMBL2493424 0.83 HPGD (0.34) HPGDPOLBCRHR1MEN1ALOX15
SCHEMBL2497119 0.83 HPGD (0.35) HPGDPOLBCRHR1MEN1ALOX15
SCHEMBL545488 0.82 MEN1 (0.37) HPGDPOLBCRHR1MEN1ALOX15
SCHEMBL2495319 0.80 CRHR1 (0.39) HPGDPOLBCRHR1MEN1ALOX15
SCHEMBL2493277 0.76 CRHR1 (0.38) HPGDPOLBCRHR1MEN1MAPK1
SCHEMBL2495431 0.76 HPGD (0.33) HPGDPOLBCRHR1KDM4EALDH1A1
SCHEMBL22335453 0.76 HPGD (0.34) HPGDPOLBCRHR1MEN1KMT2A
SCHEMBL545128 0.74 CRHR1 (0.35) HPGDPOLBCRHR1MEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed
US-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY 2010-09-02 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-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists CRHR1, CRH, CRHR2 HPGD 1864/4885POLB 4776/4885CRHR1 1/4885

“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.