SCHEMBL3142107

SCHEMBL3142107

Cc1cnn(-c2cncc(Nc3ccc(N4CCCC4=O)cn3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.37
AKR1C3 P42330 1/20 0.37
CCNT1 O60563 3/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCND3 P30281 3/20 0.36
CDK9 P50750 3/20 0.36
CDK6 Q00534 3/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
MNAT1 P51948 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
F10 P00742 1/20 0.35
MAPK1 P28482 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 2/20 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
SCHEMBL3134231 0.84 CCNA2 (0.43) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL3131380 0.76 CYP1A2 (0.34) MAPK1NPC1KDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL4892072 0.74 WEE1 (0.41) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL3138419 0.73 HPGDS (0.48) PIP4K2AAKR1C3F10NPC1KDM4E
SCHEMBL3128924 0.73 KDM4E (0.42) MAPK1NPC1KDM4EALDH1A1RAB9A
SCHEMBL3131406 0.72 PIP4K2A (0.40) PIP4K2AAKR1C3CCNT1CDK4CCND1
SCHEMBL4892087 0.70 USP30 (0.37) PIP4K2AAKR1C3CCNT1CDK4CCND1
SCHEMBL23832380 0.69 GAA (0.47) PIP4K2AAKR1C3F10NPC1SMN1; SMN2
SCHEMBL30088482 0.69 GAA (0.47) PIP4K2AAKR1C3F10NPC1SMN1; SMN2
SCHEMBL4902825 0.67 HPGDS (0.42) PIP4K2AAKR1C3NPC1SMN1; SMN2PKM

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 453/4885AKR1C3 1680/4885CCNT1 4617/4885

“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.