SCHEMBL3131779

SCHEMBL3131779

c1ccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.69
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.53
HTR2A P28223 1/20 0.53
CHEK1 O14757 1/20 0.51
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
MET P08581 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
FGFR1 P11362 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR2 P21802 1/20 0.50
EPHA2 P29317 1/20 0.50
EPHB2 P29323 1/20 0.50
KDR P35968 1/20 0.50
IGF1R P08069 1/20 0.48

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
SCHEMBL30677276 0.89 SRC (0.56) SRCLMNAHTTHTR2AABL1
SCHEMBL3128302 0.88 NPSR1 (0.55) SRCLMNAPOLBHTR2A
SCHEMBL3130094 0.86 POLB (0.58) SRCPOLBHTR2A
SCHEMBL31748485 0.81 SRC (0.47) SRCLMNAHTR2AABL1EGFR
SCHEMBL13303605 0.78 SYK (0.61) SRC
SCHEMBL30677466 0.78 ALDH1A1 (0.51) SRCLMNAHTTPOLB
SCHEMBL3120081 0.75 CDK1 (0.43) SRCLMNAHTR2A
SCHEMBL12652535 0.75 IGF1R (0.53) SRCCHEK1IGF1R
SCHEMBL30677407 0.75 GAA (0.47) SRCABL1EGFRERBB2MET
SCHEMBL15243369 0.74 CSNK1E (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 SRC 1007/4885LMNA 4233/4885HTT 4795/4885

“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.