SCHEMBL4811458

SCHEMBL4811458

c1cnc(-c2ccc3ccccc3n2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
CYP3A4 P08684 3/20 0.57
CYP1A2 P05177 3/20 0.57
AR P10275 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 8/20 0.49
ALOX15 P16050 2/20 0.49
NISCH Q9Y2I1 1/20 0.49
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
PKM P14618 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48

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
Anthracene SCHEMBL29215201 0.94 RAB9A (0.52) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL24184547 0.84 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR
2-Phenylquinoline SCHEMBL27928466 0.83 RAB9A (0.62) RAB9ANPC1CYP3A4CYP1A2AR
Hydrochloric Acid SCHEMBL2415958 0.81 RAB9A (0.65) RAB9ANPC1CYP3A4CYP1A2AR
Hydrochloric Acid SCHEMBL10653147 0.81 RAB9A (0.65) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL10596816 0.81 CYP1A2 (0.55) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL29374931 0.81 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL170196 0.81 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL29496173 0.81 KDM4E (0.61) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL29746183 0.81 KDM4E (0.61) RAB9ANPC1CYP3A4CYP1A2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. 2005-09-01 US claimed
WO-2005034870-A2 AMIDE COMPOUNDS AND ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-04-21 WO claimed
CN-117777094-A Anthracene compound and organic electroluminescent device comprising same 石家庄诚志永华显示材料有限公司 2024-03-29 CN disclosed
CN-117777202-A Pyrene compound and organic electroluminescent device comprising pyrene compound 石家庄诚志永华显示材料有限公司 2024-03-29 CN disclosed
CN-108314647-B Preparation method of quinoline-2-formic acid and quinoline-2-formic acid derivative 华中科技大学 2020-06-26 CN disclosed
CN-105793779-A Molecular glass mixtures for organic electronics applications 分子玻璃公司 2016-07-20 CN disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. 2005-09-01 US disclosed
WO-2005034870-A2 AMIDE COMPOUNDS AND ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-04-21 WO disclosed
US-6815447-B2 6-N-(2-AMINO-PYRIMIDIN-4-YL)QUINOLINE-6-AMINE DERIVATIVES; ANALGESICS ASTRAZENECA AB (SE) 2004-11-09 US disclosed
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CHAUDHARI BIPINCHANDRA (US) 2004-03-25 US disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036586-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 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 (3 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 RAB9A 1914/4885NPC1 1061/4885CYP3A4 3342/4885
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 RAB9A 1914/4885NPC1 1061/4885CYP3A4 3342/4885
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A RAB9A 2083/4885NPC1 1452/4885CYP3A4 4381/4885

“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.