SCHEMBL5989848

SCHEMBL5989848

Cc1nn2cnc(C)c2c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GDA Q9Y2T3 1/20 0.36
PDE2A O00408 7/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5988830 0.82 XDH (0.35) KDM4EGDACYP3A4MAPK1PMP22
SCHEMBL2456941 0.70 NR1H2 (0.42) KDM4EALDH1A1
SCHEMBL12102064 0.67 TNKS2 (0.36)
SCHEMBL25080175 0.63 PARP1 (0.40) KDM4EALDH1A1
SCHEMBL7603458 0.62 PDE2A (0.36) PDE2AMAPK1
SCHEMBL7981200 0.61 POLB (0.51) KDM4EPDE2AALDH1A1PDE4APDE4B
SCHEMBL18711844 0.61 SPR (0.41)
SCHEMBL11803855 0.59
SCHEMBL16651757 0.59 BRD4 (0.41) KDM4E
SCHEMBL22477775 0.59 TRPA1 (0.41)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287293-B2 Bicyclic heterocyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
US-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
US-20060264624-A1 Methods for synthesizing imidazotriazinones LEXICON GENETICS INCORPORATED 2006-11-23 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 (3 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-10287293-B2 Bicyclic heterocyclic compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D KDM4E 3056/4885GDA 252/4885PDE2A 1/4885
US-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D KDM4E 3056/4885GDA 252/4885PDE2A 1/4885
US-20060264624-A1 Methods for synthesizing imidazotriazinones PDE3A, PDE2A, PDE3B KDM4E 744/4885GDA 644/4885PDE2A 2/4885

“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.