SCHEMBL21349340

SCHEMBL21349340

COC(=O)c1cc(Cl)nc(C)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.40
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.39
NR4A2 P43354 2/20 0.38
NQO2 P16083 3/20 0.38

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
SCHEMBL21349700 0.85 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21326513 0.81 KEAP1 (0.46) KDM4ESMN1; SMN2MAPTALDH1A1GAA
SCHEMBL535539 0.80 KDM4E (0.51) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL31039239 0.80 KDM4E (0.51) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL31039277 0.80 KDM4E (0.48) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL26077457 0.79 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL23958825 0.77 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21349339 0.77 KDM4E (0.47) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29592465 0.76 KDM4E (0.54) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12701205 0.76 KDM4E (0.54) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2021-03-16 US disclosed
EP-3535267-B1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-30 EP disclosed
US-20190276462-A1 [1,2,4]TRIAZOLO[1,5‐A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 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-20190276462-A1 [1,2,4]TRIAZOLO[1,5‐A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A KDM4E 1504/4885SMN1; SMN2 800/4885NPC1 3081/4885
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A KDM4E 1414/4885SMN1; SMN2 785/4885NPC1 3131/4885

“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.