SCHEMBL21877758

SCHEMBL21877758

N#Cc1c(N)[nH]nc1[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ GAA P10253 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ GFER P55789 1/20 0.30

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
SCHEMBL21877759 1.00 PRKACA (0.38) PRKACAPRKACGPRKACBGAAKDM4E
SCHEMBL31278318 0.87 PRKACA (0.46) PRKACAPRKACGPRKACBGAAKDM4E
SCHEMBL21877621 0.78 JAK2 (0.33) JAK2JAK1TYK2
SCHEMBL21877623 0.78 JAK2 (0.33) JAK2JAK1TYK2
SCHEMBL20564864 0.73 ALDH1A1 (0.37) PRKACAPRKACGPRKACBGAAKDM4E
SCHEMBL31278050 0.72 PRKACA (0.39) PRKACAPRKACGPRKACB
SCHEMBL17447898 0.68 PIK3CD (0.45) PRKACAPRKACGPRKACBKDM4EALDH1A1
SCHEMBL17447896 0.68 PIK3CD (0.45) PRKACAPRKACGPRKACBKDM4EALDH1A1
SCHEMBL20565555 0.67 HTT (0.46) KDM4EALDH1A1HPGDJAK2JAK1
SCHEMBL23630311 0.67 ALDH1A1 (0.43) PRKACAPRKACGPRKACBGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026946-B2 Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-06-08 — — US disclosed
US-11026946-B2 Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-06-08 — — US disclosed
US-20200129515-A1 Pharmacologically Active Alicyclic-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-04-30 — — US disclosed
US-20200129515-A1 Pharmacologically Active Alicyclic-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-04-30 — — 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-20200129515-A1 Pharmacologically Active Alicyclic-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, GABRA1, P2RX5 PRKACA 945/4885PRKACG 1169/4885PRKACB 1217/4885
US-11026946-B2 Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, GABRA1, P2RX5 PRKACA 945/4885PRKACG 1169/4885PRKACB 1217/4885

“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