SCHEMBL2048675

SCHEMBL2048675

Ic1[nH]nnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ GFER P55789 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL453506 0.80 KDM4E (0.48) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL7637229 0.74 ALOX15 (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL8776626 0.74 ALOX15 (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL20605668 0.74 ALOX15 (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL454022 0.74 ALDH1A1 (0.47) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL170101 0.74 ALOX15 (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL15348468 0.74 HPGD (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL2387037 0.74 AKT2 (0.44) ALOX15KDM4EALDH1A1HPGDNPC1
Ammonia Solution, Strong SCHEMBL28924316 0.72 ALOX15 (0.41) ALOX15KDM4EALDH1A1HPGDNPC1
Phenol SCHEMBL28258861 0.72 RPS6KA3 (0.45) KDM4EALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137483-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2025-06-26 — — WO disclosed
CN-110105355-B Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound 烟台大学 2021-09-21 — — CN disclosed
CN-110105355-A A kind of preparation method of 1,2,3- triazole-[1,5-a] and quinolines 烟台大学 2019-08-09 — — CN disclosed
EP-2509638-B1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2017-04-19 — — EP disclosed
US-20160022846-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2016-01-28 — — US disclosed
US-8927736-B2 Copper catalyzed cycloaddition of organic azides and 1-haloalkynes THE SCRIPPS RESEARCH INSTITUTE (US) 2015-01-06 — — US disclosed
US-8894971-B2 Iodine radiolabelling method GE HEALTHCARE LIMITED (GB) 2014-11-25 — — US disclosed
CN-102770163-A Iodine radiolabelling method GE HEALTHCARE LTD 2012-11-07 — — CN disclosed
EP-2509638-A1 IODINE RADIOLABELLING METHOD GE Healthcare UK Limited (GB) 2012-10-17 — — EP disclosed
US-20120237444-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2012-09-20 — — US disclosed
US-20120142935-A1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-07 — — US disclosed
WO-2011070136-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2011-06-16 — — 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-20120142935-A1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES AOC3, AOC2, CBR3 ALOX15 177/4885KDM4E 4198/4885ALDH1A1 223/4885
US-20160022846-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 ALOX15 4061/4885KDM4E 3901/4885ALDH1A1 3531/4885
US-20120237444-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 ALOX15 4061/4885KDM4E 3901/4885ALDH1A1 3531/4885

“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.

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