SCHEMBL3208689

SCHEMBL3208689

C#Cc1c([CH2])cccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
KMT2A Q03164 1/20 0.30
MAP2K1 Q02750 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11880176 0.85
SCHEMBL5546112 0.85 SMN1; SMN2 (0.40) TSHRCA1CA2SMN1; SMN2HIF1A
SCHEMBL16952992 0.79 TSHR (0.35) TSHRCA1CA2SMN1; SMN2HIF1A
SCHEMBL18297484 0.75 KDM4E (0.38) TSHRCA1CA2SMN1; SMN2HIF1A
SCHEMBL2813660 0.74 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MEN1GAA
SCHEMBL27601 0.72
SCHEMBL645262 0.71 TSHR (0.48) TSHRCA1CA2SMN1; SMN2HIF1A
SCHEMBL2074858 0.71 KDM4E (0.48) TSHRDYRK1AKDM4EALDH1A1MEN1
SCHEMBL3218823 0.71 CYP1A2 (0.36) TSHRSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL16955214 0.71 TSHR (0.36) TSHRCA1CA2SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 TSHR 1014/4885CA1 3618/4885CA2 2193/4885

“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.