SCHEMBL4885901

SCHEMBL4885901

CNCCN(C)c1ccn2ncc(-c3cc(OC)c(OC)c(OC)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.52
PIK3CG P48736 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR2 P37173 5/20 0.41
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 1/20 0.41
ACVR2A P27037 4/20 0.41
TGFBR1 P36897 3/20 0.41
SMPD3 Q9NY59 1/20 0.38
RET P07949 3/20 0.38
ACVR1 Q04771 1/20 0.38
KDR P35968 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
SCHEMBL4594646 0.79 PIM1 (0.66) FYNPIK3CGTGFBR2PIM1PIM2
SCHEMBL4327440 0.78 FYN (0.52) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4332430 0.76 SCN5A (0.50) PIM1PIM2RET
SCHEMBL4335371 0.76 FYN (0.59) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4333317 0.75 MAPT (0.57) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4334657 0.74 FYN (0.66) FYNPIK3CGTGFBR2PIM1PIM2
SCHEMBL4595051 0.73 PIK3CG (0.70) FYNPIK3CGMAPTSMN1; SMN2LMNA
Ammonia Solution, Strong SCHEMBL4594648 0.73 FYN (0.61) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4836241 0.72 FYN (0.60) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4325907 0.71 PIK3CG (0.64) FYNPIK3CGMAPTSMN1; SMN2LMNA

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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK FYN 151/4885PIK3CG 756/4885MAPT 2762/4885

“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.