SCHEMBL978864

SCHEMBL978864

[c]1n[nH]cc1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 8/20 0.42
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 4/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
BLM P54132 3/20 0.42
PKM P14618 2/20 0.42
ALOX15 P16050 2/20 0.42
CASP1 P29466 2/20 0.42
PTPN7 P35236 2/20 0.42
RECQL P46063 2/20 0.42
CASP7 P55210 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL69610 0.67 AKT1 (0.40) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL450165 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL8183045 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL2565902 0.65 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL4452760 0.65 CYP1A2 (0.33) NPC1RAB9A
SCHEMBL1706140 0.65 LTA4H (0.35)
SCHEMBL1799678 0.65 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL630904 0.64 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL5757952 0.63 GAA (0.45) ALDH1A1HPGDMAPTHSD17B10MEN1
SCHEMBL569614 0.63 PDE10A (0.45) ALDH1A1KDM4EHPGDMAPTHSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157521-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2017-04-26 EP claimed
CN-106456609-A Substituted indazole compounds as irak4 inhibitors 奥瑞基尼探索技术有限公司 2017-02-22 CN claimed
WO-2015193846-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-12-23 WO claimed
EP-1751090-B1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
EP-2276764-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP claimed
US-8178523-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-15 US claimed
US-20110020275-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
EP-2276764-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-01-26 EP claimed
WO-2009120745-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 WO claimed
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US claimed
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 US disclosed
EP-2699562-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2019-05-23 US disclosed
US-20110020275-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2276764-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-01-26 EP disclosed
WO-2009120745-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 WO disclosed
US-20090099239-A1 Antiviral Compounds and Methods BIOTRON LIMITED (AU) 2009-04-16 US disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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 (7 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR ALDH1A1 2808/4885KDM4E 2957/4885HPGD 623/4885
US-20090099239-A1 Antiviral Compounds and Methods MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 3086/4885KDM4E 2925/4885HPGD 2986/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 ALDH1A1 1493/4885KDM4E 2541/4885HPGD 754/4885
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 ALDH1A1 1493/4885KDM4E 2541/4885HPGD 754/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 ALDH1A1 1493/4885KDM4E 2541/4885HPGD 754/4885
US-20110020275-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ALDH1A1 220/4885KDM4E 4322/4885HPGD 1448/4885
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR ALDH1A1 142/4885KDM4E 3418/4885HPGD 394/4885

“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.