SCHEMBL4594528

SCHEMBL4594528

NC(c1ccncc1)c1ccn2ncc(-c3ccc(F)cc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RET P07949 8/20 0.41
NTRK1 P04629 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTOR P42345 2/20 0.38
PIM1 P11309 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4345357 0.85 FYN (0.52) KDRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4595450 0.81 PIM1 (0.46) KDRRETNTRK1PIM1
SCHEMBL4328669 0.80 MAPT (0.55) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4342744 0.80 KDR (0.52) KDRNPC1RAB9ARETMEN1
SCHEMBL4333515 0.77 FYN (0.51) NPC1RAB9AMAPTSMN1; SMN2RET
SCHEMBL4345209 0.77 TGFBR2 (0.58) KDRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4331906 0.77 FYN (0.46) RETPIM1
SCHEMBL4340685 0.76 RET (0.46) KDRRETPIM1
SCHEMBL4695824 0.76 PIM1 (0.43) KDRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4594950 0.76 PIK3CD (0.56) RETL3MBTL1PIM1

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
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
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 12/4885NPC1 3290/4885RAB9A 3929/4885

“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.