SCHEMBL4819213

SCHEMBL4819213

[C]#CCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 1/20 0.46
NAAA Q02083 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL1306545 0.86 HRH1 (0.58) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29485678 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL230753 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL38655688 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL27295191 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL349370 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL2963211 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL4701110 0.78
Bromide SCHEMBL28641396 0.77 HRH1 (0.70) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL726512 0.75 HRH1 (0.76) HRH1HRH3ALDH1A1LMNATAAR1

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 HRH1 2475/4885HRH3 2806/4885ALDH1A1 3848/4885

“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.