SCHEMBL3727026

SCHEMBL3727026

CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
ATR Q13535 7/20 0.48
VNN1 O95497 1/20 0.46
SYK P43405 3/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
JAK2 O60674 1/20 0.42

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
SCHEMBL3720153 1.00 HRH3 (0.49) HRH3ATRVNN1SYKABL1
SCHEMBL3718939 1.00 HRH3 (0.49) HRH3ATRVNN1SYKABL1
SCHEMBL3726910 0.86 GHSR (0.46) SYKABL1BCR
SCHEMBL3725223 0.85 GHSR (0.45) SYKABL1BCR
SCHEMBL4174996 0.85 GHSR (0.43) SYKABL1BCR
SCHEMBL4189501 0.85 SYK (0.44) SYKABL1BCR
SCHEMBL3719497 0.85 SYK (0.44) HRH3SYKABL1BCR
SCHEMBL4186173 0.85 ABL1 (0.48) SYKABL1BCR
SCHEMBL3721814 0.84 ACACB (0.46) HRH3SYKABL1BCR
SCHEMBL3722403 0.84 CCNC (0.51)

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 HRH3 453/4885ATR 2485/4885VNN1 4873/4885

“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.