SCHEMBL18358397

SCHEMBL18358397

FC(F)(F)c1cc(Cl)n2ncnc2n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 1/20 0.43
MBOAT4 Q96T53 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
KDM5B Q9UGL1 1/20 0.37
ENPP1 P22413 1/20 0.36
PDE2A O00408 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL18372890 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL10909304 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDENPP1
SCHEMBL4425907 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL20266759 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL22004819 0.79 TP53 (0.45) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL9680379 0.76 KDM4E (0.46) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL864946 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDGAAENPP1
SCHEMBL18358261 0.72 PDE2A (0.42) ALDH1A1KDM4EHPGDMBOAT4GAA
SCHEMBL5332533 0.71 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDPOLBGAA
SCHEMBL11054396 0.69 KDM4E (0.62) ALDH1A1KDM4EHPGDPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
WO-2017000277-A1 SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
WO-2017003894-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 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 (2 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D ALDH1A1 1376/4885KDM4E 2962/4885HPGD 167/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D ALDH1A1 1376/4885KDM4E 2962/4885HPGD 167/4885

“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.