SCHEMBL5236264

SCHEMBL5236264

CCn1nc(C2CCCCC2)c(C(N)=O)c1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.40
RIPK2 O43353 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TGFBR1 P36897 1/20 0.38
KCNH2 Q12809 3/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHRNA7 P36544 2/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDPK1 O15530 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL5230043 0.81 RET (0.42) RETKCNH2MEN1ALDH1A1KMT2A
SCHEMBL1814028 0.81 RET (0.42) RETKCNH2MEN1ALDH1A1KMT2A
SCHEMBL14407691 0.77 MEN1 (0.34) LMNAMEN1KMT2ANPSR1
SCHEMBL31735722 0.76 RET (0.38) RETSRCPOLBPDPK1
SCHEMBL14412255 0.75 HRH2 (0.31)
SCHEMBL16654153 0.73 RIPK2 (0.43) RETRIPK2LCKKDRTGFBR1
SCHEMBL5229548 0.72 PKM (0.37) CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL31735662 0.72 RET (0.39) RETKDRKCNH2SRCPOLB
SCHEMBL31194643 0.72 MAPK1 (0.44) RIPK2LCKKDRTGFBR1SRC
SCHEMBL31194511 0.70 RIPK2 (0.43) RETRIPK2LCKKDRTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A RET 1553/4885RIPK2 2240/4885LCK 1150/4885

“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.