SCHEMBL545503

SCHEMBL545503

CCCCc1cc(C)nc2cc(C)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RECQL P46063 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
AURKA O14965 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
LTK P29376 1/20 0.33
CSNK1A1 P48729 1/20 0.33

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
SCHEMBL8568147 0.73 NOS2 (0.41) MAOBKDM4ESMN1; SMN2TP53USP2
SCHEMBL7845874 0.73 KDM4E (0.51) MAOBKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL14424414 0.73 MEN1 (0.44) MAPTLMNATP53HTTNPC1
SCHEMBL545442 0.72 CRHR1 (0.38)
SCHEMBL11605017 0.72 TBXAS1 (0.38) SMN1; SMN2HTTTLR7
SCHEMBL14182277 0.72 KDM4E (0.43) MAOBPIK3CGKDM4ESMN1; SMN2TP53
SCHEMBL10623166 0.71 KDM4E (0.42) MAOBPIK3CGKDM4ESMN1; SMN2TP53
SCHEMBL5270607 0.70 PIK3CG (0.68) PIK3CGKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL18780833 0.70 TLR7 (0.42) PIK3CGKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL18780788 0.70 TLR7 (0.42) PIK3CGKDM4ESMN1; SMN2MAPTALDH1A1

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 5 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
EP-2076515-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2009-07-08 EP 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 MAOB 1630/4885PIK3CG 2898/4885KDM4E 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.