SCHEMBL4594795

SCHEMBL4594795

Cc1ccc(-c2cnn3ccc(C(N)c4cccnc4)nc23)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.44
FYN P06241 4/20 0.41
RET P07949 2/20 0.38
PIM2 Q9P1W9 4/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR2 P37173 2/20 0.35
STK17A Q9UEE5 1/20 0.35
ACVR2A P27037 1/20 0.35
TGFBR1 P36897 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 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
SCHEMBL4595639 0.86 PIM1 (0.60) PIM1FYNRETPIM2
SCHEMBL4340685 0.85 RET (0.46) PIM1FYNRETPIM2
SCHEMBL4695824 0.85 PIM1 (0.43) PIM1FYNRETPIM2MAPT
SCHEMBL4593820 0.85 FYN (0.59) PIM1FYNMAPTSMN1; SMN2MEN1
SCHEMBL4595026 0.84 FYN (0.49) PIM1FYNRETMAPTSMN1; SMN2
SCHEMBL4594268 0.84 FYN (0.58) PIM1FYNRETPIM2MEN1
SCHEMBL4331906 0.83 FYN (0.46) PIM1FYNRETPIM2TGFBR2
SCHEMBL4338189 0.83 PIM1 (0.51) PIM1FYNPIM2
SCHEMBL4594475 0.83 CHEK1 (0.45) PIM1FYNRETTGFBR2ACVR2A
SCHEMBL4340335 0.82 FYN (0.44) PIM1FYNRETPIM2TGFBR2

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 PIM1 400/4885FYN 151/4885RET 911/4885

“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.