SCHEMBL20164033

SCHEMBL20164033

C=C(c1ccc(C(F)(F)F)cc1)c1nn(CCOCc2ccccc2)c2c(=O)[nH]c(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 19/20 0.49
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE6D O43924 1/20 0.38
PDE5A O76074 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE4A P27815 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE6H Q13956 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL20175953 0.91 ALDH1A1 (0.37) PDE2AMEN1KMT2A
SCHEMBL18362216 0.86 PDE2A (0.51) PDE2APDE6DPDE5APDE6APDE6G
SCHEMBL20164023 0.84 PDE2A (0.49) PDE2AMEN1POLBKMT2A
SCHEMBL20164051 0.84 PDE2A (0.49) PDE2AMEN1POLBKMT2A
SCHEMBL20164024 0.84 PDE2A (0.49) PDE2AMEN1POLBKMT2A
SCHEMBL18362086 0.82 PDE2A (0.61) PDE2APDE6DPDE5APDE6APDE6G
SCHEMBL18362236 0.81 PDE2A (0.63) PDE2APDE5A
SCHEMBL20175957 0.74 PDE2A (0.50) PDE2APDE6DPDE5APDE6APDE6G
SCHEMBL20175968 0.73 PDE2A (0.37) PDE2AMEN1KMT2A
SCHEMBL20175962 0.73 PDE2A (0.37) PDE2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319966-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-01-29 EP disclosed
EP-3319966-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-01-29 EP disclosed
US-10287293-B2 Bicyclic heterocyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
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

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-10287293-B2 Bicyclic heterocyclic compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885MEN1 4455/4885POLB 1233/4885
US-20180141952-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D PDE2A 1/4885MEN1 4455/4885POLB 1233/4885

“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.