SCHEMBL959458

SCHEMBL959458

N#CCCNC(=O)c1cccc(-c2cccc(Nc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
PRKD1 Q15139 1/20 0.42
GPR52 Q9Y2T5 1/20 0.41
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
MAPT P10636 3/20 0.39
KDR P35968 2/20 0.39
CNR1 P21554 3/20 0.38
FYN P06241 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL959317 0.88 GPR52 (0.52) ABL1GPR52EPHB4TEKKDR
SCHEMBL962004 0.80 MRGPRX4 (0.51) EPHB4TEKCNR1MEN1KMT2A
SCHEMBL961573 0.80 PRKD1 (0.41) ABL1PRKD1GPR52MAPTFYN
SCHEMBL963502 0.78 GPR52 (0.46) ABL1PRKD1GPR52MAPTCNR1
SCHEMBL962211 0.77 GPR52 (0.48) PRKD1GPR52MAPTCNR1FYN
SCHEMBL958637 0.76 BRAF (0.48) EPHB4TEKMAPTCNR1CYP1A2
SCHEMBL961007 0.76 GPR52 (0.47) PRKD1GPR52FYNSNCA
SCHEMBL1513457 0.75 PRKD1 (0.41) PRKD1GPR52MAPTCNR1FYN
SCHEMBL1513154 0.75 CNR1 (0.44) PRKD1MAPTCNR1FYNCNR2
SCHEMBL964557 0.74 GPR52 (0.50) PRKD1GPR52MAPTCNR1FYN

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 ABL1 2661/4885PRKD1 4545/4885GPR52 23/4885

“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.