SCHEMBL4595026

SCHEMBL4595026

COc1ccc(-c2cnn3ccc(C(N)c4cccnc4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.49
KDR P35968 5/20 0.48
TGFBR2 P37173 2/20 0.43
BMP4 P12644 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
PIM1 P11309 3/20 0.43
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
RET P07949 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACVR2A P27037 1/20 0.39
TGFBR1 P36897 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4342466 0.90 TGFBR2 (0.57) FYNKDRTGFBR2PIM1MAPT
SCHEMBL4594873 0.89 PIM1 (0.45) FYNKDRTGFBR2PIM1RET
SCHEMBL4345357 0.88 FYN (0.52) FYNKDRTGFBR2BMP4FLT1
SCHEMBL4593820 0.88 FYN (0.59) FYNTGFBR2PIM1MAPTSMN1; SMN2
SCHEMBL4595251 0.87 FYN (0.46) FYNKDRTGFBR2PIM1MAPT
SCHEMBL4340685 0.87 RET (0.46) FYNKDRPIM1RET
SCHEMBL4334620 0.86 FYN (0.44) FYNKDRTGFBR2PIM1MAPT
SCHEMBL4695824 0.86 PIM1 (0.43) FYNKDRPIM1MAPTSMN1; SMN2
SCHEMBL4595639 0.85 PIM1 (0.60) FYNPIM1RET
SCHEMBL4594795 0.84 PIM1 (0.44) FYNTGFBR2PIM1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
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
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK FYN 151/4885KDR 12/4885TGFBR2 2444/4885

“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.