SCHEMBL18230367

SCHEMBL18230367

CC(=O)Nc1cc2c[c]ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.40
CYP1A2 P05177 3/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
DYRK1A Q13627 12/20 0.36
LDHA P00338 2/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
CLK1 P49759 1/20 0.35
CYP2C9 P11712 1/20 0.35
FSCN1 Q16658 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL10816508 0.77 PKM (0.52) ALOX15GAAPKMHSD17B10TSHR
SCHEMBL18239774 0.73 DYRK1A (0.56) ALOX15GAAPKMHSD17B10TSHR
SCHEMBL3350942 0.72 HPGD (0.47) TSHRMAPK1DYRK1ANPC1RAB9A
SCHEMBL26963138 0.71 DYRK1A (0.55) ALOX15GAAPKMHSD17B10TSHR
SCHEMBL29799855 0.71 DYRK1A (0.55) ALOX15GAAPKMHSD17B10TSHR
SCHEMBL5530987 0.71 HDAC1 (0.60)
SCHEMBL18230190 0.71 DYRK1A (0.63) CYP1A2DYRK1AADORA1NPC1CYP3A4
SCHEMBL595321 0.70 BCL2L1 (0.58) PKMDYRK1ACLK1
SCHEMBL4477771 0.69 ALDH1A1 (0.33) ALOX15
SCHEMBL3482844 0.69 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US claimed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 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 (2 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALOX15 2251/4885GAA 2375/4885PKM 29/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 ALOX15 2196/4885GAA 1473/4885PKM 1704/4885

“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.