SCHEMBL545488

SCHEMBL545488

CCC(CC)c1cc(C)nc2c(-c3sc(-c4ncnn4C)cc3Cl)c(C)nn12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHR1 P34998 12/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 3/20 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
SCHEMBL545128 0.93 CRHR1 (0.35) MEN1KMT2AALOX15MAPK1SMN1; SMN2
SCHEMBL2497119 0.85 HPGD (0.35) MEN1KMT2AALOX15MAPK1SMN1; SMN2
SCHEMBL2931720 0.83 HPGD (0.35) MEN1KMT2AALOX15MAPK1SMN1; SMN2
SCHEMBL545659 0.82 CRHR1 (0.39) MEN1KMT2ACRHR1HPGDALDH1A1
SCHEMBL2494028 0.82 HPGD (0.35) MEN1KMT2AALOX15MAPK1SMN1; SMN2
SCHEMBL2493424 0.81 HPGD (0.34) MEN1KMT2AALOX15MAPK1SMN1; SMN2
SCHEMBL544959 0.80 CRHR1 (0.40) MEN1KMT2ACRHR1HPGDALDH1A1
SCHEMBL544921 0.78 CRHR1 (0.45) MEN1KMT2ASMN1; SMN2CRHR1HPGD
SCHEMBL22335453 0.78 HPGD (0.34) MEN1KMT2ACRHR1HPGDALDH1A1
SCHEMBL12409295 0.76 CRHR1 (0.40) MEN1KMT2AALOX15MAPK1SMN1; SMN2

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 9 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
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-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US 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
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 US disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 US disclosed
WO-2008036541-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-03-27 WO 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 MEN1 750/4885KMT2A 4191/4885ALOX15 1546/4885

“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.