SCHEMBL546527

SCHEMBL546527

Cc1cc(C(C)C)n2nc(C)c(I)c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.40
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HTR6 P50406 1/20 0.35
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL544998 0.83 HPGD (0.36) KDM4EMAPTPPARAALDH1A1HPGD
SCHEMBL2496473 0.80 TSHR (0.36) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL20529181 0.76 MAPT (0.56) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL23747995 0.73 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL545442 0.69 CRHR1 (0.38) HPGDHTR6
SCHEMBL2927760 0.69 PIK3CG (0.35) PDE2AKDM4EMAPTALDH1A1HPGD
SCHEMBL15104390 0.68 MAPT (0.42) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL12305595 0.68 PDE2A (0.43) PDE2AKDM4EMAPTALDH1A1HPGD
SCHEMBL27051757 0.68 MEN1 (0.40) MAPTHPGDMEN1KMT2ALMNA
SCHEMBL16202093 0.68 KDM4E (0.42) PDE2AKDM4EMAPTALDH1A1HPGD

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 PDE2A 1161/4885KDM4E 4111/4885MAPT 1164/4885

“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.