SCHEMBL16803677

SCHEMBL16803677

Nc1cc(C2CCC(F)(F)CC2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ IDH1 O75874 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.30
▸ PDE8B O95263 1/20 0.30
▸ HRH4 Q9H3N8 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
SCHEMBL170833 0.83 — —
SCHEMBL31517587 0.82 — —
SCHEMBL1593290 0.80 KMT2A (0.47) KMT2APDE8BHRH4
SCHEMBL234785 0.80 KMT2A (0.44) KMT2APDE8BHRH4
Ammonia Solution, Strong SCHEMBL3939167 0.78 KMT2A (0.46) KMT2APDE8BHRH4
SCHEMBL16803471 0.78 KMT2A (0.50) KMT2AHRH4
SCHEMBL8015569 0.78 KMT2A (0.50) KMT2AHRH4
SCHEMBL16664269 0.77 HRH4 (0.51) KMT2AHRH4
SCHEMBL25261249 0.75 KMT2A (0.34) KMT2APDE8BHRH4
Hydrochloric Acid SCHEMBL16648497 0.75 HRH4 (0.50) KMT2AHRH4

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
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
CN-110431142-A Alicyclic substituted pyrazolo [1,5-a] pyrimidine derivatives of pharmacological activity RICHTER GEDEON NYRT 2019-11-08 — — CN disclosed
WO-2015087995-A1 CYCLOALKYL OR HETEROCYCLYL PYRAZOLOPYRIDINE DERIVATIVE 第一三共株式会社 2015-06-18 — — 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-20200129515-A1 Pharmacologically Active Alicyclic-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, GABRA1, P2RX5 GSK3A 1645/4885GSK3B 1834/4885KMT2A 3846/4885
US-11026946-B2 Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, GABRA1, P2RX5 GSK3A 1645/4885GSK3B 1834/4885KMT2A 3846/4885

“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.

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