SCHEMBL3107746

SCHEMBL3107746

O=C1CCCCC1C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.34
RECQL P46063 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16935259 0.98 MCL1 (0.49) MCL1MAPK1CA1CA2CA4
SCHEMBL4751506 0.96 MCL1 (0.46) MCL1MAPK1CA1CA2CA4
SCHEMBL14484973 0.86 MCL1 (0.46) MCL1MAPK1CA1CA2CA4
SCHEMBL18796201 0.82 MCL1 (0.49) MCL1MAPK1CA1CA2CA4
SCHEMBL28595966 0.80 MCL1 (0.40) MCL1MAPK1CYP1A2RECQL
SCHEMBL1903199 0.78 MCL1 (0.32) MCL1
SCHEMBL1008181 0.77 MCL1 (0.45) MCL1MAPK1CA1CA2CA4
SCHEMBL15893192 0.77 MCL1 (0.52) MCL1MAPK1CA1CA2CA4
SCHEMBL10458616 0.76 MCL1 (0.55) MCL1MAPK1CA1CA2CA4
SCHEMBL16534456 0.76 MCL1 (0.55) MCL1MAPK1CA1CA2CA4

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
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
CN-109928983-B 2-oxadiazole-3-aminothieno [2,3-b ] pyridine derivative and preparation method and application thereof 四川大学 2021-06-29 CN disclosed
CN-106928250-B 2-oxadiazole-3-aminothieno [2,3-b ] pyridine derivative and preparation method and application thereof 四川大学 2019-09-27 CN disclosed
CN-109928983-A 2- oxadiazoles -3- aminothiophene simultaneously [2,3-b] pyridine derivate and its preparation method and application 四川大学 2019-06-25 CN disclosed
CN-106928250-A 2-oxadiazole-3-aminothieno [2,3-b ] pyridine derivative and preparation method and application thereof 四川大学 2017-07-07 CN disclosed
WO-2015110999-A1 EZH2 INHIBITORS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-07-30 WO disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
EP-2051966-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE Pfizer Products Inc. (US) 2009-04-29 EP disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO disclosed
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 MCL1 2007/4885MAPK1 650/4885CA1 4855/4885
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 MCL1 4760/4885MAPK1 3592/4885CA1 7/4885

“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.