SCHEMBL3663458

SCHEMBL3663458

CNc1cc(-c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.52
RIPK1 Q13546 1/20 0.48
CYP11B2 P19099 1/20 0.47
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
GABRA5 P31644 1/20 0.44
SLC6A7 Q99884 1/20 0.44
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
HPGD P15428 4/20 0.43
JAK2 O60674 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
PLK4 O00444 1/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
MARK3 P27448 1/20 0.43
FLT4 P35916 1/20 0.43

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
SCHEMBL2238366 0.90 TGFBR1 (0.49) TGFBR1RIPK1CYP11B2ABL1BCR
SCHEMBL3721461 0.90 RIPK1 (0.48) TGFBR1RIPK1ABL1BCRSLC6A7
SCHEMBL3718285 0.89 CCNC (0.53) RIPK1MKNK1MKNK2KDM4E
SCHEMBL3723739 0.88 ABL1 (0.50) TGFBR1RIPK1ABL1BCRSLC6A7
SCHEMBL2243570 0.82 FLT3 (0.52) TGFBR1ABL1BCRSLC6A7MKNK1
SCHEMBL3723755 0.82 L3MBTL1 (0.53) RIPK1ABL1BCRSLC6A7HPGD
SCHEMBL3663103 0.81 TGFBR1 (0.51) TGFBR1ABL1JAK2FLT1KDR
SCHEMBL2238690 0.81 HPGD (0.48) TGFBR1RIPK1ABL1BCRSLC6A7
SCHEMBL3727963 0.80 ABL1 (0.50) RIPK1ABL1BCRSLC6A7MKNK1
SCHEMBL2238961 0.80 RIPK1 (0.48) RIPK1ABL1BCRSLC6A7MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK TGFBR1 187/4885RIPK1 2437/4885CYP11B2 26/4885

“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.