SCHEMBL7941882

SCHEMBL7941882

Nc1ncccc1NCc1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.47
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PRKCI P41743 1/20 0.43
BACE2 Q9Y5Z0 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7935615 0.90 PRKCI (0.44) BACE1KDM4EPRKCIMAPT
SCHEMBL7944189 0.88 PRKCI (0.47) BACE1PRKCIBACE2
SCHEMBL7944492 0.88 BACE1 (0.58) BACE1KDM4EHTTALDH1A1MEN1
SCHEMBL7935614 0.87 BACE1 (0.50) BACE1PRKCIRAB9A
SCHEMBL7943347 0.86 BACE1 (0.50) BACE1KDM4EHTTALDH1A1MEN1
SCHEMBL7942900 0.84 PTGS1 (0.49) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL7941783 0.84 BACE1 (0.45) BACE1PRKCIBACE2PPARG
SCHEMBL7944193 0.82 GRM4 (0.50) BACE1PRKCI
SCHEMBL7944672 0.81 BACE1 (0.46) BACE1PRKCIBACE2
SCHEMBL7940397 0.81 PRKCI (0.47) BACE1PRKCIBACE2

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO 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 (1 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885KDM4E 2783/4885HTT 329/4885

“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.