SCHEMBL3131406

SCHEMBL3131406

O=C1CCCN1c1ccc(Nc2cncc(-c3nccs3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.40
GAA P10253 1/20 0.35
LYN P07948 1/20 0.35
CD38 P28907 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
AKR1C3 P42330 1/20 0.35
HPGDS O60760 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34

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
Hydrochloric Acid SCHEMBL4892965 0.87 PIP4K2A (0.40) PIP4K2AGAALYNCYP1A1CYP1A2
SCHEMBL4901325 0.85 PIP4K2A (0.38) PIP4K2ALYNCYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL5312807 0.84 HCRTR1 (0.37) PIP4K2ALYNCYP1A1CYP1A2CYP1B1
SCHEMBL6374423 0.84 CYP1A1 (0.50) PIP4K2AGAACYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL6368123 0.83 CYP1A1 (0.49) PIP4K2AGAACYP1A1CYP1A2CYP1B1
SCHEMBL3138419 0.82 HPGDS (0.48) PIP4K2AGAAAKR1C3HPGDSNPC1
SCHEMBL4896616 0.79 HCRTR1 (0.41) PIP4K2ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL4903182 0.78 CDK4 (0.40) LYNCCNT1CDK4CCND1CCND3
SCHEMBL4899702 0.77 HCRTR1 (0.40) PIP4K2AAKR1C3NPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4893173 0.76 KARS1 (0.38) CCNT1CDK4CCND1CCND3CDK7

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 PIP4K2A 453/4885GAA 4767/4885LYN 3690/4885

“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.