SCHEMBL7940454

SCHEMBL7940454

Nc1ncccc1NCc1cc(NC(=O)c2cc3ccccc3s2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.46
F10 P00742 1/20 0.44
PIN1 Q13526 2/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
BACE1 P56817 4/20 0.42
SENP5 Q96HI0 2/20 0.41
SENP2 Q9HC62 2/20 0.41
SENP1 Q9P0U3 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
HDAC1 Q13547 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
STAT1 P42224 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL7941994 0.86 GAA (0.42) HDAC2PDGFRBKDRBACE1HDAC1
SCHEMBL7935583 0.84 BACE1 (0.59) HDAC2BACE1SENP5SENP2SENP1
SCHEMBL7943395 0.84 BACE1 (0.48) HDAC2PDGFRBKDRBACE1HDAC1
SCHEMBL7934108 0.84 HDAC2 (0.46) HDAC2F10PIN1PDGFRBKDR
SCHEMBL7944905 0.83 BACE1 (0.43) HDAC2PDGFRBKDRBACE1HDAC1
SCHEMBL7941984 0.81 BACE1 (0.49) HDAC2PDGFRBBACE1HDAC1
SCHEMBL7940524 0.81 BACE1 (0.50) HDAC2PDGFRBKDRBACE1HDAC1
SCHEMBL7939707 0.81 RAB9A (0.49) BACE1HDAC1
SCHEMBL12301465 0.81 NPC1 (0.53) HDAC2HDAC1
SCHEMBL7946719 0.81 BACE1 (0.43) HDAC2PDGFRBKDRBACE1HDAC1

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 HDAC2 169/4885F10 3308/4885PIN1 1294/4885

“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.