SCHEMBL20185334

SCHEMBL20185334

COc1nc(OC)c2c(COCc3ccccc3)n[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ GHSR Q92847 7/20 0.36
▸ MAPK1 P28482 5/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ XIAP P98170 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ DHFR P00374 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
SCHEMBL18281321 0.88 DYRK1A (0.38) TSHRGHSRMAPK1ADORA3ADORA2A
SCHEMBL18282692 0.86 C5AR1 (0.37) TSHRGHSRMAPK1ADORA3ADORA2A
SCHEMBL18290651 0.70 — —
SCHEMBL22778923 0.69 PIK3CD (0.46) TSHRGHSRDHFR
SCHEMBL18291808 0.65 DYRK1A (0.33) MAPK1
SCHEMBL21607779 0.64 TSHR (0.47) TSHRGHSRMAPK1BRD4DHFR
SCHEMBL18285548 0.64 NPC1 (0.38) ADORA3ADORA2AADORA1
SCHEMBL21608058 0.63 GHSR (0.49) TSHRGHSRADORA3ADORA2AADORA1
SCHEMBL18399214 0.62 TSHR (0.44) TSHR
SCHEMBL19635109 0.62 TSHR (0.44) TSHRGHSRADORA3ADORA2AADORA1

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-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 — — US disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 — — US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 — — US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 — — 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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D TSHR 2910/4885GHSR 1735/4885MAPK1 1139/4885
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D TSHR 2910/4885GHSR 1735/4885MAPK1 1139/4885

“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.

Send feedback