SCHEMBL25905288

SCHEMBL25905288

Cc1nc2c(C(C)C)ccc(F)c2s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP9X Q93008 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12032789 0.85 KDM4E (0.43) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL12053508 0.82 KDM4E (0.41) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL23512523 0.81 SMN1; SMN2 (0.41) HSD17B10NPC1RAB9ATLR8TLR7
SCHEMBL12109837 0.78 MAPK1 (0.40) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL21807277 0.77 MAPK1 (0.39) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL24616544 0.72 NPC1 (0.38) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL24498587 0.70 PKLR (0.33)
SCHEMBL12109861 0.68 LMNA (0.42) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL24351117 0.68 SMN1; SMN2 (0.45) HSD17B10NPC1RAB9ATLR8TLR7
SCHEMBL29343777 0.67 CCR1 (0.39) RAB9AMAPTLMNA

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 5 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
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
WO-2023168036-A1 METHOD OF TREATMENT INCLUDING KRAS G12C INHIBITORS AND SHP2 INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-07 WO disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 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 (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-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS MAPK1 156/4885KDM4E 3126/4885HSD17B10 3394/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS MAPK1 416/4885KDM4E 3543/4885HSD17B10 3449/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS MAPK1 332/4885KDM4E 3110/4885HSD17B10 4468/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A MAPK1 95/4885KDM4E 4407/4885HSD17B10 3002/4885

“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.