SCHEMBL21775434

SCHEMBL21775434

CSc1c(C)nc2cc(-c3ccc(C(F)(F)F)cc3Cl)nn2c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 3/20 0.38
CYP1A2 P05177 2/20 0.38
TP53 P04637 3/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL21775440 0.88 MPL (0.39) CYP1A2TP53ALDH1A1CYP3A4CYP2C9
SCHEMBL21775466 0.85 DPP4 (0.51) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL21775461 0.84 NPC1 (0.46) TP53ALDH1A1CYP2C19SMN1; SMN2NPSR1
SCHEMBL21749188 0.83 DPP4 (0.38) DPP4DPP8DPP9CYP1A2TP53
SCHEMBL21775437 0.82 DPP4 (0.49) DPP4DPP8DPP9TP53ALDH1A1
SCHEMBL21775856 0.81 KDM4E (0.49) CYP1A2TP53ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL21774084 0.79 DPP4 (0.42) DPP4DPP8DPP9TP53ALDH1A1
SCHEMBL21775441 0.77 THRB (0.38) TP53ALDH1A1NPC1MAPTRAB9A
SCHEMBL21749203 0.76 NPC1 (0.57) DPP4DPP8TP53ALDH1A1CYP2C19
SCHEMBL21775859 0.75 KDM4E (0.40) DPP4DPP8DPP9TP53ALDH1A1

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 DPP4 721/4885DPP8 1147/4885DPP9 850/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 DPP4 721/4885DPP8 1147/4885DPP9 850/4885

“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.