SCHEMBL544898

SCHEMBL544898

CCC(CC)c1cc(C)nc2c(-c3sc(NC(C)=O)cc3C)c(C)nn12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
CDK5 Q00535 7/20 0.41
CDK5R1 Q15078 7/20 0.41
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.37
CRHR1 P34998 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 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
SCHEMBL2931328 0.81 PIK3CG (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL545543 0.81 HPGD (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL15104244 0.80 ALDH1A1 (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL544939 0.79 CRHR1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL545948 0.79 CRHR1 (0.40) POLBHPGDCRHR1
SCHEMBL2931270 0.76 HPGD (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2497805 0.75 HPGD (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL12409295 0.75 CRHR1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL544990 0.75 HPGD (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL545592 0.75 HPGD (0.38) MAPTALDH1A1KDM4EMEN1KMT2A

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-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 MAPT 1164/4885ALDH1A1 2135/4885KDM4E 4111/4885

“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.