SCHEMBL4189501

SCHEMBL4189501

CCN1CCN(C(=O)c2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.44
ABL1 P00519 3/20 0.43
BCR P11274 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A7 Q99884 1/20 0.43
DYRK2 Q92630 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
TGFBR1 P36897 1/20 0.41
HTR2B P41595 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL3665895 0.90 SYK (0.45) SYKABL1BCRKDM4EALDH1A1
SCHEMBL3719497 0.88 SYK (0.44) SYKABL1BCRSLC6A7DYRK2
SCHEMBL4186173 0.88 ABL1 (0.48) SYKABL1BCRSLC6A7NOS3
SCHEMBL3721814 0.88 ACACB (0.46) SYKABL1BCRKDM4EALDH1A1
SCHEMBL3722403 0.88 CCNC (0.51) KDM4ESLC6A7CCNCCDK8
SCHEMBL3725223 0.86 GHSR (0.45) SYKABL1BCRMAPTSLC6A7
SCHEMBL4174996 0.86 GHSR (0.43) SYKABL1BCRMAPTSLC6A7
SCHEMBL4177025 0.85 ABL1 (0.46) SYKABL1BCRSLC6A7NOS3
SCHEMBL3726910 0.85 GHSR (0.46) SYKABL1BCRALDH1A1SLC6A7
SCHEMBL3718939 0.85 HRH3 (0.49) SYKABL1BCR

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
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
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US 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 SYK 1085/4885ABL1 3285/4885BCR 3455/4885

“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.