SCHEMBL545548

SCHEMBL545548

CCOC(=O)c1cc(Cl)c(-c2c(C)nn3c(C(CC)CC)cc(C)nc23)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 3/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
CRHR1 P34998 4/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12409295 0.77 CRHR1 (0.40) KDM4EMAPTALDH1A1CRHR1MEN1
SCHEMBL2178265 0.76 CRHR1 (0.39) NPSR1KDM4EMAPTALDH1A1CRHR1
SCHEMBL545112 0.75 CRHR1 (0.43) KDM4EMAPTALDH1A1CRHR1MEN1
SCHEMBL545488 0.74 MEN1 (0.37) KDM4EMAPTALDH1A1CRHR1MEN1
SCHEMBL20756845 0.72 CRHR1 (0.38) NPSR1KDM4EMAPTALDH1A1CRHR1
SCHEMBL544939 0.71 CRHR1 (0.40) NPSR1KDM4EMAPTALDH1A1CRHR1
SCHEMBL544990 0.71 HPGD (0.40) NPSR1KDM4EMAPTALDH1A1CRHR1
SCHEMBL20756306 0.71 CRHR1 (0.39) NPSR1KDM4EMAPTALDH1A1CRHR1
SCHEMBL2499635 0.70 HPGD (0.34) NPSR1KDM4EMAPTALDH1A1CRHR1
SCHEMBL2498882 0.69 POLB (0.39) KDM4EMAPTCRHR1LMNAMEN1

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 NPSR1 14/4885KDM4E 4111/4885MAPT 1164/4885

“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.