SCHEMBL21839532

SCHEMBL21839532

O=C(O)Nc1nc2c(O)ccc(F)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
HSD17B1 P14061 4/20 0.40
HSD17B2 P37059 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
AHR P35869 1/20 0.38
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 2/20 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
SCHEMBL23496730 0.84 RAB9A (0.39) NPC1RAB9AAHRKDM4ENPSR1
SCHEMBL21901580 0.79 LCK (0.45) DYRK1A
SCHEMBL21839531 0.78 NPC1 (0.39) DYRK1ANPC1RAB9AAHRKDM4E
SCHEMBL29937254 0.76 ALDH1A1 (0.55) CYP2C19NPC1RAB9AKDM4EGAA
SCHEMBL25414681 0.74 PDGFRB (0.35) NPC1RAB9AAHRKDRKDM4E
SCHEMBL29966867 0.74 PDGFRB (0.35) NPC1RAB9AAHRKDRKDM4E
SCHEMBL21091402 0.71 PDPK1 (0.49) KDM4EGAAALDH1A1LMNAHTT
SCHEMBL29885344 0.71 PDPK1 (0.49) KDM4EGAAALDH1A1LMNAHTT
SCHEMBL19757207 0.71 ALDH1A1 (0.50) DYRK1ANPC1RAB9AKDM4ENPSR1
SCHEMBL21839593 0.71 NPC1 (0.39) NPC1RAB9AAHRKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
EP-3886991-A1 KRAS G12C INHIBITORS Eli Lilly and Company (US) 2021-10-06 EP disclosed
US-20210179633-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2021-06-17 US disclosed
WO-2021118877-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2021-06-17 WO disclosed
US-10968214-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2021-04-06 US disclosed
WO-2020081282-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2020-04-23 WO disclosed
US-20200115375-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2020-04-16 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 (6 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-20200115375-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS DYRK1A 2011/4885HSD17B1 2847/4885HSD17B2 3606/4885
US-20230339968-A1 KRAS Gl2C INHIBITORS KRAS, NRAS, GLS2 DYRK1A 2266/4885HSD17B1 3796/4885HSD17B2 2993/4885
US-11731984-B2 KRas G12C inhibitors KRAS, NRAS, HRAS DYRK1A 706/4885HSD17B1 3510/4885HSD17B2 3911/4885
US-10968214-B2 KRas G12C inhibitors KRAS, NRAS, HRAS DYRK1A 2011/4885HSD17B1 2847/4885HSD17B2 3606/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS DYRK1A 1402/4885HSD17B1 4345/4885HSD17B2 4384/4885
US-20210179633-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS DYRK1A 706/4885HSD17B1 3510/4885HSD17B2 3911/4885

“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.