SCHEMBL21774014

SCHEMBL21774014

CSc1c(C)nc2cc(-c3ccc(C(F)(F)F)c(F)c3)nn2c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 2/20 0.46
TP53 P04637 3/20 0.44
KIF11 P52732 2/20 0.39
GRM2 Q14416 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FUBP1 Q96AE4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 2/20 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
SCHEMBL21775726 0.88 NPC1 (0.41) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL21775461 0.85 NPC1 (0.46) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL20503090 0.83 CYP11B2 (0.46) CYP11B2CYP11B1TP53KIF11GRM2
SCHEMBL21775856 0.81 KDM4E (0.49) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL21775452 0.80 MEN1 (0.44) TP53GRM2NPC1RAB9AMAPT
SCHEMBL21749203 0.79 NPC1 (0.57) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL21775468 0.78 NPC1 (0.44) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL21775440 0.78 MPL (0.39) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL21775475 0.76 EGLN2 (0.41) TP53NPC1RAB9AMAPTALDH1A1
SCHEMBL21775859 0.76 KDM4E (0.40) TP53NPC1RAB9AMAPTALDH1A1

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 CYP11B2 326/4885CYP11B1 254/4885TP53 3700/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 CYP11B2 326/4885CYP11B1 254/4885TP53 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.