SCHEMBL18282951

SCHEMBL18282951

Cc1nn(CC(O)c2ccc(C(F)(F)F)cc2)c(N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.38
RPS6KB1 P23443 2/20 0.37
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE2A O00408 1/20 0.34
MAPT P10636 2/20 0.34
DHODH Q02127 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CETP P11597 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL18282742 0.79 ALDH1A1 (0.38) ALDH1A1PDE2APTGDR2HSD11B1
SCHEMBL7305763 0.71 TSHR (0.55) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL17726080 0.69 ADORA1 (0.43) TSHRALDH1A1LMNAADORA1MAPT
SCHEMBL18281313 0.68 DHODH (0.40) TSHRALDH1A1RPS6KB1POLBMEN1
SCHEMBL18282703 0.67 PDE2A (0.49) PDE2A
SCHEMBL17714343 0.67 ADORA1 (0.50) TSHRALDH1A1MEN1KMT2AADORA1
SCHEMBL7302490 0.66 TSHR (0.59) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL7305823 0.65 TSHR (0.76) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4292372 0.65 PNMT (0.62) TSHRMEN1KMT2ALMNATDP1
SCHEMBL7153429 0.65 PNMT (0.62) TSHRMEN1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
EP-3302484-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-04-11 EP disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 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-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D TSHR 2780/4885ALDH1A1 705/4885RPS6KB1 3623/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D TSHR 2780/4885ALDH1A1 705/4885RPS6KB1 3623/4885

“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.