SCHEMBL3138437

SCHEMBL3138437

c1ccc(-c2cncc(Nc3ccc(-c4ccco4)cn3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
GFER P55789 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MCL1 Q07820 2/20 0.38
SLC2A1 P11166 2/20 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
SCHEMBL3138619 0.83 SLC2A1 (0.41) ALDH1A1KDM4ERAB9AMAPTPOLB
SCHEMBL3137598 0.82 SLC2A1 (0.41) ALDH1A1KDM4ERAB9AMAPTPOLB
Hydrochloric Acid SCHEMBL3134658 0.82 SLC2A1 (0.41) ALDH1A1KDM4ERAB9AMAPTPOLB
SCHEMBL4902892 0.81 KARS1 (0.40) ALDH1A1KDM4ERAB9AMAPTPOLB
SCHEMBL3142922 0.81 CYP2A6 (0.51) ALDH1A1RAB9AMAPTSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3142386 0.80 CYP2A6 (0.50) ALDH1A1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL3128890 0.78 MECP2 (0.53) ALDH1A1KDM4ERAB9AMAPTPOLB
SCHEMBL3147046 0.78 SMN1; SMN2 (0.45) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3141929 0.77 SLC2A1 (0.40) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3139492 0.77 GRM5 (0.44) SLC2A1GRM5

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 4 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 claimed
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 ALDH1A1 3395/4885KDM4E 1618/4885RAB9A 3433/4885

“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.