SCHEMBL6645174

SCHEMBL6645174

CN(C)C1CCN(c2cc3c(F)cccc3c(=O)[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 5/20 0.46
NSD2 O96028 1/20 0.46
PARP1 P09874 3/20 0.45
TNKS O95271 3/20 0.45
APAF1 O14727 1/20 0.40
CDC25B P30305 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CHEK2 O96017 1/20 0.38
SLC6A4 P31645 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37
PIK3CG P48736 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
EED O75530 1/20 0.35
WEE1 P30291 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL6648367 0.86 TNKS (0.59) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6645853 0.86 PARP1 (0.44) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6646307 0.85 PARP1 (0.48) PARP1TNKSAPAF1CDC25BCASP3
SCHEMBL6643880 0.85 PARP1 (0.47) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6647334 0.85 TNKS (0.47) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6646697 0.85 PARP1 (0.45) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6643130 0.83 TNKS (0.45) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6647905 0.83 PARP1 (0.44) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6643846 0.82 PARP1 (0.43) SETD2NSD2PARP1TNKSAPAF1
SCHEMBL6645529 0.81 PARP1 (0.42) SETD2NSD2PARP1TNKSAPAF1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 SETD2 1791/4885NSD2 1512/4885PARP1 2/4885

“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.