SCHEMBL21775461

SCHEMBL21775461

CSc1c(C)nc2cc(-c3ccc(C(F)(F)F)cc3)nn2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 4/20 0.45
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
RAD51 Q06609 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL21775856 0.89 KDM4E (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21775440 0.85 MPL (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21774014 0.85 CYP11B2 (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21775452 0.85 MEN1 (0.44) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21775434 0.84 DPP4 (0.38) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21749203 0.84 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21775726 0.83 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21775742 0.81 MEN1 (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20502816 0.81 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21775475 0.81 EGLN2 (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 NPC1 1179/4885RAB9A 988/4885MAPT 2067/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 NPC1 1179/4885RAB9A 988/4885MAPT 2067/4885

“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.