SCHEMBL7944489

SCHEMBL7944489

Cc1c(C(=O)Nc2cccc(CNc3cccnc3N)c2)oc2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 4/20 0.59
BACE1 P56817 6/20 0.54
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7945232 0.92 BACE1 (0.53) RAB9ANPC1BACE1POLBKMT2A
SCHEMBL7940970 0.91 BACE1 (0.56) RAB9ANPC1BACE1KMT2ARXFP1
SCHEMBL7944478 0.90 BACE1 (0.55) RAB9ANPC1BACE1KMT2ARXFP1
SCHEMBL7939896 0.90 BACE1 (0.54) RAB9ANPC1BACE1KMT2ARXFP1
SCHEMBL7939891 0.90 BACE1 (0.56) RAB9ANPC1BACE1POLBKMT2A
SCHEMBL7944676 0.89 BACE1 (0.57) RAB9ANPC1BACE1POLBKMT2A
SCHEMBL7944680 0.88 BACE1 (0.59) RAB9ANPC1BACE1KMT2ARXFP1
SCHEMBL7945393 0.88 RAB9A (0.58) RAB9ANPC1BACE1POLBKMT2A
SCHEMBL7944704 0.86 RAB9A (0.54) RAB9ANPC1BACE1POLBKMT2A
SCHEMBL7940374 0.84 RAB9A (0.58) RAB9ANPC1BACE1POLBKMT2A

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 RAB9A 1287/4885NPC1 431/4885BACE1 1/4885

“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.