SCHEMBL4396963

SCHEMBL4396963

C#Cc1cccc(-c2ncccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.67
DYRK1A Q13627 1/20 0.47
CYP2A6 P11509 1/20 0.41
GRM5 P41594 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3841296 0.80 CA12 (0.48) CLK4ABCG2CA12CA1CA2
SCHEMBL4905631 0.79 GRM5 (0.47) CLK4CYP2A6GRM5CYP1A2ALOX15
SCHEMBL14961829 0.78 CLK4 (0.61) CLK4DYRK1ACYP2A6ADRB2KAT6A
SCHEMBL6509937 0.77 CLK4 (0.41) CLK4GRM5ABCG2CA12CA1
SCHEMBL19992474 0.76 CA12 (0.45) CLK4CYP2A6ABCG2CA12CA1
SCHEMBL27819271 0.76 ADORA2A (0.46) CLK4ABCG2CA12CA1CA2
SCHEMBL28139439 0.75 CLK4 (0.40) CLK4CYP2A6GRM5ABCG2CA12
SCHEMBL3580838 0.75 CYP11B2 (0.48) CLK4CYP2C19
SCHEMBL23501624 0.74 CYP2A6 (0.49) CLK4CYP2A6GRM5HDAC8
SCHEMBL29933819 0.74 CYP2A6 (0.49) CLK4CYP2A6GRM5HDAC8

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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 CLK4 4558/4885DYRK1A 3466/4885CYP2A6 1002/4885

“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.