SCHEMBL4333059

SCHEMBL4333059

NC(c1cccnc1)c1ccn2ncc(-c3ccccc3Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.39
KCNA5 P22460 4/20 0.38
FYN P06241 3/20 0.38
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.34
P2RX7 Q99572 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
RET P07949 1/20 0.33
LIMK1 P53667 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL4328505 0.91 NUDT1 (0.40) PIM1KCNA5FYNP2RX7RET
SCHEMBL4595415 0.87 PIM1 (0.39) PIM1FYNSMN1; SMN2RETNPC1
SCHEMBL4338996 0.86 PIM1 (0.40) PIM1KCNA5FYNSMN1; SMN2RET
SCHEMBL4340685 0.85 RET (0.46) PIM1KCNA5FYNRETKCNH2
SCHEMBL4695824 0.84 PIM1 (0.43) PIM1FYNSMN1; SMN2RETNPC1
SCHEMBL4334404 0.84 FYN (0.56) PIM1FYNSMN1; SMN2NPC1RAB9A
SCHEMBL4338189 0.83 PIM1 (0.51) PIM1KCNA5FYNPIM2
SCHEMBL4595060 0.82 KDR (0.47) PIM1FYNSMN1; SMN2RETPIM2
SCHEMBL4331830 0.82 FYN (0.43) PIM1FYNSMN1; SMN2RETNPC1
SCHEMBL4595639 0.81 PIM1 (0.60) PIM1FYNRETPIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 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 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
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO 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 400/4885KCNA5 916/4885FYN 151/4885

“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.