SCHEMBL3460177

SCHEMBL3460177

O=c1[nH]c(-c2ccncc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 1.00
MAPT P10636 2/20 1.00
ALDH1A1 P00352 2/20 1.00
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
APOBEC3G Q9HC16 1/20 1.00
TNKS O95271 13/20 0.81
TNKS2 Q9H2K2 12/20 0.81
PARP1 P09874 6/20 0.81
KDM4C Q9H3R0 1/20 0.72
GUSB P08236 6/20 0.69
PARP2 Q9UGN5 3/20 0.69
CYP1A1 P04798 1/20 0.69
CYP1B1 Q16678 1/20 0.69
WNT3A P56704 1/20 0.68
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64

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
SCHEMBL29831923 1.00 HPGD (1.00) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL258433 0.90 TNKS (1.00) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL6885282 0.90 TNKS (0.93) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL29592833 0.90 TNKS (1.00) HPGDMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL31529601 0.88 TNKS (0.96) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL6124189 0.86 TNKS (0.93) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL14344501 0.84 KDM4C (1.00) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL6695759 0.84 TNKS2 (0.81) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL15645718 0.83 KDM4C (0.82) HPGDMAPTALDH1A1ALOX15HSD17B10
SCHEMBL20299026 0.83 HPGD (0.71) HPGDMAPTALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
CN-104557738-A Green synthesis method of 4(3H)-quinazolinone UNIV HUNAN 2015-04-29 CN disclosed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 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 (4 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR HPGD 1856/4885MAPT 2716/4885ALDH1A1 3053/4885
US-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 HPGD 1083/4885MAPT 2112/4885ALDH1A1 587/4885
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG HPGD 189/4885MAPT 4070/4885ALDH1A1 2033/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HPGD 1083/4885MAPT 2112/4885ALDH1A1 587/4885

“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.