SCHEMBL7939665

SCHEMBL7939665

Cc1cc(C(=O)Nc2ccc(F)c(CNc3cccnc3N)c2)on1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
ALOX12 P18054 1/20 0.51
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BACE1 P56817 8/20 0.46
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE2 Q9Y5Z0 2/20 0.44
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37

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
SCHEMBL7940789 0.88 BACE1 (0.53) KMT2AMEN1ALOX12RAB9ABACE1
SCHEMBL7941927 0.86 POLB (0.46) TP53NPC1RAB9ABACE1HTT
SCHEMBL7945350 0.86 BACE1 (0.47) TP53NPC1RAB9ABACE1GLA
SCHEMBL7942892 0.85 BACE1 (0.61) KMT2AMEN1ALOX12TP53NPC1
SCHEMBL7944281 0.84 ALOX12 (0.53) KMT2AMEN1ALOX12TP53NPC1
SCHEMBL7945352 0.82 ALDH1A1 (0.47) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL7941880 0.82 SMN1; SMN2 (0.57) TP53NPC1RAB9ABACE1HTT
SCHEMBL7943391 0.81 MEN1 (0.46) KMT2AMEN1NPC1RAB9ABACE1
SCHEMBL7941932 0.81 NPC1 (0.46) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL12301465 0.81 NPC1 (0.53) KMT2AMEN1TP53NPC1RAB9A

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US 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 KMT2A 1020/4885MEN1 1150/4885ALOX12 4139/4885

“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.