SCHEMBL7941408

SCHEMBL7941408

Cc1cc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)c(C)o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
BACE1 P56817 4/20 0.45
PRKCI P41743 2/20 0.45
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
VCP P55072 1/20 0.41

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
SCHEMBL7939893 0.87 BACE1 (0.60) HPGDLMNANPC1RAB9AMAPT
SCHEMBL7940417 0.86 HPGD (0.48) HPGDLMNANPC1RAB9AMAPT
SCHEMBL7941932 0.85 NPC1 (0.46) HPGDLMNANPC1RAB9AMAPT
SCHEMBL7945490 0.84 PRKCI (0.48) BACE1PRKCIVCP
SCHEMBL7932768 0.84 BACE1 (0.49) NPC1RAB9AMAPTSMN1; SMN2BACE1
SCHEMBL12302349 0.82 BACE1 (0.44) BACE1PRKCIVCP
SCHEMBL7942072 0.82 NAMPT (0.49) NPC1RAB9AMAPTSMN1; SMN2BACE1
SCHEMBL7944983 0.82 BACE1 (0.45) BACE1PRKCIVCP
SCHEMBL7944281 0.81 ALOX12 (0.53) NPC1RAB9ABACE1PRKCIALDH1A1
SCHEMBL7945003 0.81 RAB9A (0.56) HPGDLMNANPC1RAB9AMAPT

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 HPGD 3195/4885LMNA 1540/4885NPC1 431/4885

“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.