SCHEMBL21857075

SCHEMBL21857075

COC(=O)c1ccc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 6/20 0.58
GAA P10253 4/20 0.58
HSD17B10 Q99714 3/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
GLA P06280 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
ATM Q13315 1/20 0.58
ABL1 P00519 1/20 0.57
CFTR P13569 3/20 0.56
IKBKB O14920 1/20 0.55
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP8 Q96LD8 1/20 0.52

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
SCHEMBL1015993 0.87 KDM4E (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29481401 0.87 KDM4E (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1035480 0.86 ALDH1A1 (0.66) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29543806 0.86 KDM4E (0.54) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL21857203 0.86 ABL1 (0.59) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL21953487 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1317476 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL7729822 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL23540246 0.84 KDM4E (0.51) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29654804 0.84 KDM4E (0.51) ALDH1A1KDM4EGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 WO disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR ALDH1A1 547/4885KDM4E 3587/4885GAA 2947/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP ALDH1A1 564/4885KDM4E 3415/4885GAA 3023/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALDH1A1 1943/4885KDM4E 916/4885GAA 2375/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS ALDH1A1 2548/4885KDM4E 2592/4885GAA 2819/4885

“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.