SCHEMBL21775485

SCHEMBL21775485

Cc1nc2cc(-c3ccc(C(F)(F)F)cc3Cl)nn2c(N2CCC[C@@](C)(C(=O)O)C2)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.36
ABCB1 P08183 1/20 0.35
TP53 P04637 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
MGLL Q99685 1/20 0.34
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MCHR1 Q99705 1/20 0.32
GCGR P47871 2/20 0.32

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
SCHEMBL21749147 1.00 BTK (0.36) BTKABCB1TP53EIF2AK4MGLL
SCHEMBL21775504 1.00 BTK (0.36) BTKABCB1TP53EIF2AK4MGLL
SCHEMBL21775643 0.91 BTK (0.36) BTKABCB1EIF2AK4HCRTR1HCRTR2
SCHEMBL21775862 0.91 BTK (0.36) BTKABCB1EIF2AK4HCRTR1HCRTR2
SCHEMBL21775869 0.91 BTK (0.36) BTKABCB1EIF2AK4HCRTR1HCRTR2
SCHEMBL21775755 0.90 ABCB1 (0.34) BTKABCB1TP53MGLLHCRTR1
SCHEMBL21775614 0.90 DGAT1 (0.40) ABCB1DGAT1KCNH2DPP4DPP7
SCHEMBL21775744 0.90 ABCG2 (0.40) BTKABCB1EIF2AK4DGAT1KCNH2
SCHEMBL21775867 0.90 DGAT1 (0.40) ABCB1DGAT1KCNH2DPP4DPP7
SCHEMBL21775864 0.90 ABCG2 (0.40) BTKABCB1EIF2AK4DGAT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-03-30 US disclosed
US-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-02-27 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-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, P2RX5, P2RY1 BTK 2089/4885ABCB1 243/4885TP53 3700/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 BTK 2089/4885ABCB1 243/4885TP53 3700/4885

“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.