SCHEMBL14680354

SCHEMBL14680354

Cn1c(S)nnc1CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.60
▸ ROCK2 O75116 3/20 0.48
▸ GRK2 P25098 3/20 0.48
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ IDH2 P48735 2/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40

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
SCHEMBL6406472 0.85 LMNA (0.52) LMNAROCK2GRK2GAAMAPT
SCHEMBL9224408 0.73 LMNA (0.56) LMNAGAAMAPTKDM4EBRD4
SCHEMBL30366813 0.72 GAA (0.70) LMNAGAAMAPTKDM4EL3MBTL1
SCHEMBL10055021 0.71 NPSR1 (0.55) LMNAGAAMAPTKDM4EBRD4
SCHEMBL30490047 0.69 LMNA (0.53) LMNAGAAMAPTL3MBTL1MEN1
SCHEMBL42000 0.69 LMNA (0.53) LMNAGAAMAPTL3MBTL1MEN1
SCHEMBL1419865 0.68 LMNA (0.56) LMNAGAAMAPTL3MBTL1MEN1
SCHEMBL5605032 0.68 MAPT (0.62) LMNAGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8887020 0.68 LMNA (0.51) LMNAGAAMAPTL3MBTL1MEN1
SCHEMBL20714773 0.68 MAPT (0.49) LMNAGAAMAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 — — US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 — — 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 (5 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 LMNA 886/4885ROCK2 1379/4885GRK2 3817/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 LMNA 1804/4885ROCK2 1065/4885GRK2 2395/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 LMNA 1804/4885ROCK2 1065/4885GRK2 2395/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 LMNA 1804/4885ROCK2 1065/4885GRK2 2395/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA LMNA 358/4885ROCK2 645/4885GRK2 3821/4885

“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.

Send feedback