SCHEMBL4595060

SCHEMBL4595060

NC(c1cccnc1)c1ccn2ncc(-c3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
PIM1 P11309 10/20 0.42
PIM2 Q9P1W9 6/20 0.40
FYN P06241 2/20 0.39
EPHB4 P54760 1/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RET P07949 1/20 0.36
BCHE P06276 1/20 0.36
MTOR P42345 3/20 0.35

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
SCHEMBL4695824 0.89 PIM1 (0.43) KDRPIM1PIM2FYNLMNA
SCHEMBL4338189 0.87 PIM1 (0.51) KDRPIM1PIM2FYN
SCHEMBL4331906 0.85 FYN (0.46) PIM1PIM2FYNRET
SCHEMBL4595639 0.83 PIM1 (0.60) PIM1PIM2FYNRET
SCHEMBL4340685 0.83 RET (0.46) KDRPIM1PIM2FYNRET
SCHEMBL4594795 0.82 PIM1 (0.44) PIM1PIM2FYNLMNAPOLB
SCHEMBL4595415 0.82 PIM1 (0.39) PIM1PIM2FYNSMN1; SMN2RET
SCHEMBL4333059 0.82 PIM1 (0.39) PIM1PIM2FYNSMN1; SMN2RET
SCHEMBL4594268 0.81 FYN (0.58) PIM1PIM2FYNRET
SCHEMBL4328505 0.81 NUDT1 (0.40) PIM1PIM2FYNRET

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-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 claimed
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 KDR 12/4885PIM1 400/4885PIM2 424/4885

“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.