SCHEMBL3559302

SCHEMBL3559302

Cc1cnc(N2CCC(Nc3ncccn3)CC2)nc1C(C#N)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.41
SMO Q99835 4/20 0.37
SLC34A1 Q06495 1/20 0.36
SLC34A3 Q8N130 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
OPRK1 P41145 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL3562759 0.84 CDK9 (0.40) FLT3TYRO3MERTKGAS6DRD2
SCHEMBL3574026 0.82 CTSK (0.42) FLT3TYRO3MERTKGAS6CDK1
SCHEMBL3571502 0.81 CTSK (0.44) FLT3TYRO3MERTKGAS6CDK1
SCHEMBL3566014 0.71 SYK (0.32) TACR3GAA
SCHEMBL13572064 0.71 CTSK (0.45) TACR3FLT3TYRO3MERTKGAS6
SCHEMBL3569022 0.71 GPR39 (0.41) FLT3TYRO3MERTKGAS6CDK1
SCHEMBL3572008 0.70 SMN1; SMN2 (0.35) TACR3CDK7CDK9GAA
SCHEMBL3570899 0.69 CTSK (0.52) TACR3FLT3TYRO3MERTKGAS6
SCHEMBL3566343 0.69 CTSK (0.54) TACR3FLT3TYRO3MERTKGAS6
SCHEMBL13572330 0.68 GPR39 (0.44) KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US claimed
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 US claimed

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-20070060594-A1 Pyridinyl acetonitriles GSK3B, GSK3A, MAPK3 TACR3 3602/4885SMO 4300/4885SLC34A1 1775/4885

“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.