SCHEMBL3723604

SCHEMBL3723604

CC(C)(O)c1cc(-c2cncc(-c3ccc(CN4CCNCC4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
KIT P10721 2/20 0.46
ABL2 P42684 1/20 0.46
TGFBR1 P36897 3/20 0.41
ACVR1 Q04771 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
BCR P11274 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CXCR4 P61073 4/20 0.37
MCHR1 Q99705 1/20 0.37
MAP3K11 Q16584 1/20 0.37
AKT1 P31749 3/20 0.36
AKT2 P31751 3/20 0.36
SIGMAR1 Q99720 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
SCHEMBL3718092 0.89 DRD2 (0.41) ABL1KITABL2TGFBR1DRD2
SCHEMBL3725181 0.89 AKT1 (0.40) ABL1KITABL2AKT1AKT2
SCHEMBL3723005 0.88 ABL1 (0.37) ABL1KITABL2TGFBR1DRD2
SCHEMBL3715980 0.88 ACVR1 (0.41) ABL1KITABL2TGFBR1ACVR1
SCHEMBL3716702 0.88 DRD2 (0.40) ABL1KITABL2TGFBR1DRD2
SCHEMBL3801968 0.86 AKT1 (0.39) TGFBR1AKT1AKT2
SCHEMBL3725755 0.84 ABL1 (0.48) ABL1KITABL2TGFBR1DRD2
SCHEMBL3718024 0.84 ABL1 (0.45) ABL1KITABL2TGFBR1DRD2
SCHEMBL3719755 0.84 TBK1 (0.44) MCHR1
SCHEMBL3726796 0.82 ABL1 (0.46) ABL1KITABL2TGFBR1DRD2

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 ABL1 3285/4885KIT 3085/4885ABL2 4185/4885

“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.