SCHEMBL4595450

SCHEMBL4595450

NC(c1ccncc1)c1ccn2ncc(-c3cn[nH]c3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 1/20 0.46
NTRK1 P04629 5/20 0.43
BMPR1B O00238 3/20 0.38
KDR P35968 3/20 0.38
BMPR1A P36894 3/20 0.38
ACVRL1 P37023 3/20 0.38
TGFBR2 P37173 3/20 0.38
ACVR1 Q04771 3/20 0.38
BMPR2 Q13873 3/20 0.38
PRKAB1 Q9Y478 3/20 0.38
RET P07949 7/20 0.37
MAPK1 P28482 1/20 0.35
ACVR1B P36896 2/20 0.35
TGFBR1 P36897 2/20 0.35
STK17A Q9UEE5 1/20 0.35
LATS1 O95835 1/20 0.33

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
SCHEMBL4594528 0.81 KDR (0.48) PIM1NTRK1KDRRET
SCHEMBL4345357 0.81 FYN (0.52) PIM1KDRTGFBR2RETMAPK1
SCHEMBL4328669 0.78 MAPT (0.55) PIM1TGFBR2RETTGFBR1STK17A
SCHEMBL4342744 0.78 KDR (0.52) PIM1PIM2KDRRET
SCHEMBL4345209 0.78 TGFBR2 (0.58) PIM1PIM2KDRTGFBR2RET
SCHEMBL4333515 0.76 FYN (0.51) RET
SCHEMBL30389620 0.75 PIM1 (0.57) PIM1PIM2NTRK1BMPR1BKDR
SCHEMBL4594950 0.74 PIK3CD (0.56) PIM1RETMAPK1
SCHEMBL4557498 0.72 PIK3CG (0.42) TGFBR2TGFBR1STK17A
SCHEMBL4340685 0.72 RET (0.46) PIM1PIM2KDRRET

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 400/4885PIM2 424/4885NTRK1 4538/4885

“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.