SCHEMBL1735498

SCHEMBL1735498

Brc1cnc(OCc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAPK14 Q16539 4/20 0.45
PIN1 Q13526 1/20 0.45
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
CYP1A2 P05177 4/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL17012038 0.80 CYP1A2 (0.46) MAOBPIN1CYP1A2TSHRALDH1A1
SCHEMBL17010218 0.80 MAOB (0.55) MAOBMAPK14PIN1CYP1A2TSHR
SCHEMBL24844977 0.80 APP (0.50) MAOBMAPK14PIN1CYP1A2TSHR
SCHEMBL2779108 0.79 LTA4H (0.55) MAOBMAPK14CYP1A2TSHRCYP2C19
SCHEMBL20657592 0.78 APP (0.50) MAOBTSHRRAB9ASMN1; SMN2
SCHEMBL17129498 0.78 NPC1 (0.59) MAOBALDH1A1LMNAL3MBTL1MAOA
SCHEMBL1547807 0.78 ACACB (0.55) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL3109590 0.77 MAPT (0.41) CYP1A2TSHRALDH1A1CLK4CYP2C19
SCHEMBL510168 0.77 GABRA5 (0.52) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL29457401 0.77 GABRA5 (0.52) MAOBGABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
WO-2024125603-A1 SHP2 INHIBITOR AND USE THEREOF 江苏威凯尔医药科技有限公司 2024-06-20 WO disclosed
CN-118206550-A SHP2 inhibitor and application thereof 江苏威凯尔医药科技有限公司 2024-06-18 CN disclosed
CN-113549069-A Kinase inhibitor 重庆复创医药研究有限公司 2021-10-26 CN disclosed
CN-108779117-B Kinase inhibitor 重庆复创医药研究有限公司 2021-08-31 CN disclosed
WO-2021149767-A1 HETEROCYCLIC DERIVATIVE 大日本住友製薬株式会社 2021-07-29 WO disclosed
CN-107667107-B Ethynyl derivatives 豪夫迈·罗氏有限公司 2021-05-18 CN disclosed
EP-3331882-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
CN-108779117-A Kinase inhibitor 重庆复创医药研究有限公司 2018-11-09 CN disclosed
US-10011607-B2 Ethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-03 US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
CN-101466679-A Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORP (JP) 2009-06-24 CN disclosed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO disclosed
US-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
EP-1594846-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS Bayer HealthCare AG (DE) 2005-11-16 EP disclosed
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 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-10011607-B2 Ethynyl derivatives CCRL2, MC2R, CCR2 MAOB 191/4885MAPK14 2914/4885PIN1 1415/4885
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 MAOB 1678/4885MAPK14 839/4885PIN1 4553/4885
US-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists HRH2, BPHL, HRH1 MAOB 2096/4885MAPK14 3212/4885PIN1 1243/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAOB 4698/4885MAPK14 1767/4885PIN1 772/4885

“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.