SCHEMBL21775696

SCHEMBL21775696

Cc1nc2cc(-c3ccc(C(F)(F)F)nc3)nn2c(O)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.42
TP53 P04637 2/20 0.41
TRPV3 Q8NET8 9/20 0.39
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL20502816 0.85 NPC1 (0.46) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21775448 0.81 NPC1 (0.55) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20503090 0.80 CYP11B2 (0.46) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21775456 0.79 NPC1 (0.57) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21749178 0.79 NPC1 (0.57) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21775857 0.79 MAPT (0.57) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21775447 0.78 MAPT (0.43) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21775438 0.77 RAB9A (0.41) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20503113 0.74 MPL (0.39) TP53NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21749188 0.73 DPP4 (0.38) TP53NPC1ALDH1A1RAB9ASMN1; SMN2

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 KDM5B 2140/4885TP53 3700/4885TRPV3 186/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 KDM5B 2140/4885TP53 3700/4885TRPV3 186/4885

“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.