SCHEMBL7051584

SCHEMBL7051584

O=C(O)c1ccc(N2CCCCC2Nc2ncccn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
NR3C2 P08235 2/20 0.35
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
MAPK8 P45983 1/20 0.35
GRIN2B Q13224 4/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL7469676 0.87 RBP4 (0.36) CDK4CCND1GRIN2BGAAHCRTR1
SCHEMBL7463190 0.87 GCK (0.40) CDK4CCND1NR3C2CAMKK1CAMKK2
SCHEMBL7053331 0.82 HCAR3 (0.40) KDM4ECDK4CCND1GAANPC1
SCHEMBL7469467 0.81 MAPK8 (0.35) KDM4ECDK4CCND1CAMKK1CAMKK2
SCHEMBL6497602 0.81 MEN1 (0.49) KDM4ECDK4CCND1KMT2AGAA
SCHEMBL7467119 0.81 GAA (0.40) KDM4ECDK4CCND1KMT2AGAA
SCHEMBL7462635 0.78 RORC (0.38) KDM4EGAACYP2C9MAPTRAB9A
SCHEMBL382582 0.78 USP2 (0.40) KDM4ECDK4CCND1GAA
SCHEMBL7051591 0.77 ITGB3 (0.46) KDM4EMAPK8KMT2AGAAMEN1
SCHEMBL7466043 0.76 OPRK1 (0.43) KDM4ECDK4CCND1GRIN2BKMT2A

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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 KDM4E 4216/4885CDK4 3607/4885CCND1 3652/4885

“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.