Sugi Predict

Sugi Predict / Compounds / SCHEMBL545964

SCHEMBL545964

SCHEMBL545964

CCC(CC)c1cc(C)nc2c(-c3sc4cccnc4c3C)c(C)nn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 6/20 0.40
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL15103889 0.79 CRHR1 (0.58) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL2495293 0.75 HPGD (0.39) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL2931270 0.75 HPGD (0.39) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL12409295 0.74 CRHR1 (0.40) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL544990 0.74 HPGD (0.40) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL2497805 0.74 HPGD (0.38) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL3959459 0.74 CRHR1 (0.65) CRHR1ALDH1A1
SCHEMBL545543 0.73 HPGD (0.40) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL2178265 0.73 CRHR1 (0.39) CRHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL15104032 0.73 CRHR1 (0.53) CRHR1MAPTKDM4EALDH1A1HPGD

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 CRHR1 2/4885MAPT 1164/4885KDM4E 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.