SCHEMBL20164051

SCHEMBL20164051

C=C(c1ccc(C(F)(F)F)cc1)c1nn([C@@H](C)COCc2ccccc2)c2c(=O)[nH]c(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.49
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL20164023 1.00 PDE2A (0.49) PDE2AMEN1POLBKMT2A
SCHEMBL20164024 1.00 PDE2A (0.49) PDE2AMEN1POLBKMT2A
SCHEMBL20175968 0.91 PDE2A (0.37) PDE2AMEN1KMT2A
SCHEMBL20175962 0.91 PDE2A (0.37) PDE2AMEN1KMT2A
SCHEMBL18362212 0.86 PDE2A (0.50) PDE2A
SCHEMBL18362199 0.86 PDE2A (0.50) PDE2A
SCHEMBL20164033 0.84 PDE2A (0.49) PDE2AMEN1POLBKMT2A
SCHEMBL18362236 0.78 PDE2A (0.63) PDE2A
SCHEMBL20164018 0.77 USP2 (0.43) PDE2AMEN1KMT2A
SCHEMBL20164049 0.77 USP2 (0.43) 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.