SCHEMBL545543

SCHEMBL545543

CCC(CC)c1cc(C)nc2c(-c3sc(Br)cc3C)c(C)nn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
CRHR1 P34998 9/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
NPY1R P25929 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL544959 0.89 CRHR1 (0.40) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL2931270 0.86 HPGD (0.39) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL2497805 0.85 HPGD (0.38) HPGDPOLBCRHR1KDM4EMAPT
Hydrochloric Acid SCHEMBL545948 0.84 CRHR1 (0.40) HPGDPOLBCRHR1
SCHEMBL544939 0.82 CRHR1 (0.40) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL544898 0.81 MAPT (0.42) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL15103887 0.80 CRHR1 (0.39) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL2498882 0.80 POLB (0.39) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL12409295 0.80 CRHR1 (0.40) HPGDPOLBCRHR1KDM4EMAPT
SCHEMBL544990 0.80 HPGD (0.40) HPGDPOLBCRHR1KDM4EMAPT

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
EP-2076515-B1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS LILLY CO ELI (US) 2013-07-17 EP disclosed
US-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 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 (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-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CRH, CRHR1, CRHR2 HPGD 1818/4885POLB 4655/4885CRHR1 2/4885

“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.