SCHEMBL393594

SCHEMBL393594

Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CASP1 P29466 4/20 0.42
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LPL P06858 4/20 0.34
LIPG Q9Y5X9 4/20 0.34
RECQL P46063 1/20 0.34
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 3/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL29427266 1.00 ALDH1A1 (0.43) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL16121520 0.86 ALDH1A1 (0.35) ALDH1A1CASP1CYP3A4TSHRLPL
SCHEMBL16121467 0.86 ALDH1A1 (0.35) ALDH1A1CASP1CYP3A4TSHR
SCHEMBL58186 0.85 ALDH1A1 (0.43) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL29407647 0.85 ALDH1A1 (0.43) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL28601719 0.85 LPL (0.36) ALDH1A1CASP1LPLLIPGCA1
SCHEMBL29688166 0.81 LPL (0.36) ALDH1A1CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL4827664 0.81 LPL (0.36) ALDH1A1CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL12481678 0.80 CYP3A4 (0.42) ALDH1A1CASP1CYP3A4TSHRMAPT
SCHEMBL21543816 0.80 LPL (0.33) ALDH1A1KDM4EMAPTLPLLIPG

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 360 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
EP-4727922-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
EP-4727921-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
EP-4695231-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics Inc. (US) 2026-02-18 EP disclosed
US-20250361234-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS INC (US) 2025-11-27 US disclosed
EP-4598927-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics Inc. (US) 2025-08-13 EP disclosed
US-20250250235-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2025-08-07 US disclosed
US-20250206729-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2025-06-26 US disclosed
WO-2025137105-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2025-06-26 WO disclosed
US-12319655-B2 RAF kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2025-06-03 US disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (8 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-12319655-B2 RAF kinase inhibitors and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 2049/4885CASP1 3475/4885CYP3A4 4349/4885
US-20250206729-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF BRAF, MAP2K2, MAP2K1 ALDH1A1 2583/4885CASP1 3221/4885CYP3A4 4717/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB ALDH1A1 4156/4885CASP1 2431/4885CYP3A4 4740/4885
US-20250361234-A1 COMPOUNDS, COMPOSITIONS, AND METHODS SARM1, SARS1, TIAM1 ALDH1A1 4272/4885CASP1 307/4885CYP3A4 4262/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 ALDH1A1 4600/4885CASP1 2578/4885CYP3A4 4788/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG ALDH1A1 3824/4885CASP1 610/4885CYP3A4 4654/4885
US-20250250235-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2049/4885CASP1 3475/4885CYP3A4 4349/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885CASP1 680/4885CYP3A4 622/4885

“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.