SCHEMBL3662150

SCHEMBL3662150

CN1CCC(O)(C#Cc2cncc(-c3cc(NC4CC4)nc(-c4ccccn4)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.41
GSK3B P49841 9/20 0.41
GPR39 O43194 2/20 0.39
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
METAP1 P53582 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL4185251 0.81 GPR39 (0.44) DYRK1AGSK3BGPR39GRM5AXL
SCHEMBL3661666 0.79 GPR39 (0.45) GPR39GRM5AXLTYRO3MERTK
SCHEMBL3720880 0.75 GPR39 (0.38) DYRK1AGSK3BGPR39GRM5TYRO3
SCHEMBL3665002 0.74 GPR39 (0.47) GPR39AXLTYRO3MERTKEGFR
SCHEMBL4175691 0.72 CYP1A2 (0.46) GPR39GRM5ALDH1A1HSD17B10
SCHEMBL3664859 0.70 GPR39 (0.51) GSK3BGPR39KDM4EALDH1A1AXL
SCHEMBL3663909 0.70 GPR39 (0.54) GSK3BGPR39KDM4EALDH1A1AXL
SCHEMBL3728645 0.70 CYP11B1 (0.42) DYRK1AGSK3BGPR39GRM5KDM4E
SCHEMBL3663705 0.70 GPR39 (0.43) DYRK1AGSK3BGPR39AXLTYRO3
SCHEMBL4192009 0.70 GPR39 (0.43) DYRK1AGPR39AXLTYRO3MERTK

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 DYRK1A 4748/4885GSK3B 3011/4885GPR39 222/4885

“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.