SCHEMBL2816741

SCHEMBL2816741

CN1CCN(Cc2cc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4c(N)nn5C)cc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.51
KDR P35968 6/20 0.51
KIT P10721 5/20 0.51
SRC P12931 4/20 0.51
CSF1R P07333 4/20 0.51
BLK P51451 4/20 0.51
LCK P06239 3/20 0.51
LYN P07948 3/20 0.51
FLT1 P17948 3/20 0.51
FLT4 P35916 3/20 0.51
FLT3 P36888 3/20 0.51
FYN P06241 2/20 0.51
BRAF P15056 2/20 0.48
DDR2 Q16832 9/20 0.46
BCR P11274 2/20 0.46
NTRK1 P04629 2/20 0.46
NTRK2 Q16620 2/20 0.46
FGFR1 P11362 2/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL2818557 0.90 CSF1R (0.48) ABL1KDRKITSRCCSF1R
SCHEMBL13041837 0.88 KDR (0.51) ABL1KDRKITSRCCSF1R
SCHEMBL2819588 0.88 ABL1 (0.51) ABL1KDRKITFLT3BRAF
SCHEMBL2818570 0.86 CDK1 (0.55) ABL1KDRKITSRCCSF1R
SCHEMBL12973383 0.86 KDR (0.49) ABL1KDRKITCSF1RFLT3
SCHEMBL2816625 0.82 KDR (0.73) ABL1KDRKITSRCCSF1R
SCHEMBL12973373 0.82 DDR2 (0.56) ABL1KDRKITBRAFDDR2
SCHEMBL2819399 0.82 KIT (0.51) ABL1KDRKITSRCCSF1R
SCHEMBL5265879 0.81 KDR (0.49) ABL1KDRKITSRCCSF1R
SCHEMBL2817402 0.81 KIT (0.49) ABL1KDRKITSRCCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO disclosed
EP-1867648-A1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them. Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-19 EP disclosed
EP-1867648-A1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them. Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-19 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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 ABL1 37/4885KDR 1/4885KIT 18/4885

“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.