SCHEMBL7941268

SCHEMBL7941268

Cc1cc(C(=O)Nc2ccc(F)c(CNc3cccnc3N)c2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.48
KDR P35968 5/20 0.43
FGFR1 P11362 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
FLT1 P17948 3/20 0.38
LCK P06239 2/20 0.38
CSF1R P07333 2/20 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
SCHEMBL7942267 0.90 MEN1 (0.46) BACE1KDRMEN1KMT2ANPC1
SCHEMBL7944276 0.89 GAA (0.41) BACE1KDRMEN1KMT2ANPC1
SCHEMBL7944273 0.88 BACE1 (0.40) BACE1KDRMEN1KMT2ANPC1
SCHEMBL7945677 0.86 BACE1 (0.47) BACE1KDRMEN1KMT2ANPC1
SCHEMBL7939284 0.84 BACE1 (0.44) BACE1KDRFGFR1MEN1KMT2A
SCHEMBL7940330 0.84 BACE1 (0.59) BACE1KDRFGFR1MEN1KMT2A
SCHEMBL7941880 0.81 SMN1; SMN2 (0.57) BACE1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7934790 0.81 BACE1 (0.48) BACE1KDRKDM4EMAPTAURKA
SCHEMBL7942291 0.81 BACE1 (0.44) BACE1KDRMEN1KMT2ANPC1
SCHEMBL7939665 0.81 KMT2A (0.53) BACE1MEN1KMT2ANPC1RAB9A

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 BACE1 1/4885KDR 4039/4885FGFR1 3743/4885

“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.