SCHEMBL3132389

SCHEMBL3132389

Cc1cc(Nc2cncc(-c3ccccn3)n2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
ALPL P05186 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
GRM4 Q14833 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
PPP1CA P62136 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
CCR1 P32246 3/20 0.37
CCR5 P51681 3/20 0.37
CCR8 P51685 3/20 0.37

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
SCHEMBL4165689 0.81 ITK (0.50) KDM4EJAK2
SCHEMBL3142029 0.79 KDM4E (0.44) SMN1; SMN2NPC1TDP1POLBTP53
SCHEMBL3131081 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPC1TDP1TP53RAB9A
SCHEMBL3137926 0.75 KCNN1 (0.60) NPC1RAB9AMEN1KMT2ASLC2A1
SCHEMBL3128890 0.75 MECP2 (0.53) SMN1; SMN2NPC1ALPLTDP1POLB
SCHEMBL3133015 0.75 KDM4E (0.47) GPR39SMN1; SMN2NPC1ALPLTDP1
SCHEMBL6661092 0.74 CDK2 (0.46) GRM4MEN1ALDH1A1KMT2AKDM4E
SCHEMBL3138007 0.73 ACP1 (0.50) NPC1POLBTP53MEN1MAPT
SCHEMBL3142307 0.73 METAP2 (0.39) GPR39SMN1; SMN2NPC1ALPLTDP1
SCHEMBL3142709 0.73 KDR (0.44) SMN1; SMN2NPC1ALPLTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 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-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 GPR39 2179/4885SMN1; SMN2 4255/4885NPC1 1213/4885

“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.