SCHEMBL4892363

SCHEMBL4892363

Cc1cnn(-c2cccc(Nc3ccc(C(C)C)cn3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EP300 Q09472 2/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BTK Q06187 1/20 0.32
RET P07949 7/20 0.32
CCNK O75909 3/20 0.32
CDK9 P50750 3/20 0.32
CCND3 P30281 2/20 0.32
CDK6 Q00534 2/20 0.32

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
SCHEMBL4896598 0.83 ALDH1A1 (0.43) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4899881 0.83 TSHR (0.39) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4899608 0.83 CYP1A2 (0.41) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4904831 0.81 ALDH1A1 (0.39) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4903204 0.81 KDM4E (0.43) CYP1A2ALDH1A1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4904519 0.80 ALDH1A1 (0.38) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4895051 0.77 ALDH1A1 (0.45) CYP1A2ALDH1A1MEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL4896673 0.77 ALDH1A1 (0.45) CYP1A2ALDH1A1MEN1CYP2C9KMT2A
SCHEMBL19501370 0.76 EGLN1 (0.51) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL5309523 0.76 CCND3 (0.48) CCNKCDK9CCND3CDK6CDK4

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
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
CN-1980923-A Polycyclic pyridines as potassium ion channel modulators ICAGEN INC (US) 2007-06-13 CN disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 CYP1A2 2682/4885ALDH1A1 3179/4885NPC1 1509/4885

“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.