SCHEMBL21775748

SCHEMBL21775748

Cc1nc2cc(-c3ccc(C(F)(F)F)cc3Cl)nn2c(N2CCCC(C(=O)O)(C(C)C)C2)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
TP53 P04637 1/20 0.34
BTK Q06187 3/20 0.32
DPP4 P27487 3/20 0.32
DPP7 Q9UHL4 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MGLL Q99685 1/20 0.32
PDF Q9HBH1 1/20 0.32
MCHR1 Q99705 1/20 0.32
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
FAAH O00519 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
SCHEMBL21774099 1.00 ABCB1 (0.34) ABCB1TP53BTKDPP4DPP7
SCHEMBL21775755 1.00 ABCB1 (0.34) ABCB1TP53BTKDPP4DPP7
SCHEMBL21749168 0.92 ABCB1 (0.35) ABCB1BTKABCG2PDFMCHR1
SCHEMBL21775759 0.92 ABCB1 (0.35) ABCB1BTKABCG2PDFMCHR1
SCHEMBL21774107 0.92 ABCB1 (0.35) ABCB1BTKABCG2PDFMCHR1
SCHEMBL21749147 0.90 BTK (0.36) ABCB1TP53BTKDPP4DPP7
SCHEMBL21774076 0.90 ABCG2 (0.40) ABCB1TP53BTKABCG2MCHR1
SCHEMBL21775753 0.90 DPP4 (0.39) ABCB1DPP4DPP7ABCG2DPP8
SCHEMBL21775866 0.90 DPP4 (0.39) ABCB1DPP4DPP7ABCG2DPP8
SCHEMBL21749191 0.90 DPP4 (0.39) ABCB1DPP4DPP7ABCG2DPP8

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 ABCB1 243/4885TP53 3700/4885BTK 2089/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 ABCB1 243/4885TP53 3700/4885BTK 2089/4885

“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.