SCHEMBL544939

SCHEMBL544939

CCC(CC)c1cc(C)nc2c(-c3sc([N+](=O)[O-])cc3C)c(C)nn12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.40
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL545543 0.82 HPGD (0.40) CRHR1HPGDPOLBKDM4EMAPT
Hydrochloric Acid SCHEMBL545948 0.81 CRHR1 (0.40) CRHR1HPGDPOLB
SCHEMBL544898 0.79 MAPT (0.42) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2931270 0.78 HPGD (0.39) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL12409295 0.77 CRHR1 (0.40) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL544990 0.77 HPGD (0.40) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2497805 0.77 HPGD (0.38) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL545592 0.76 HPGD (0.38) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2178265 0.76 CRHR1 (0.39) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2495293 0.75 HPGD (0.39) CRHR1HPGDPOLBKDM4EMAPT

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 CRHR1 2/4885HPGD 1818/4885POLB 4655/4885

“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.