SCHEMBL10203177

SCHEMBL10203177

CC(C)(C)c1ccc(C(=O)N2CCC(N3CCCCC3)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 13/20 0.67
▸ L3MBTL1 Q9Y468 12/20 0.67
▸ MBTD1 Q05BQ5 5/20 0.53
▸ TP53BP1 Q12888 2/20 0.51
▸ L3MBTL4 Q8NA19 1/20 0.51
▸ HRH3 Q9Y5N1 4/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SCN10A Q9Y5Y9 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL15759182 0.84 L3MBTL3 (0.72) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23880057 0.83 SCN9A (0.47) L3MBTL3L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL25972082 0.83 HPGD (0.50) L3MBTL3L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL10263393 0.81 L3MBTL3 (0.67) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL10202499 0.79 L3MBTL3 (0.77) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL25972070 0.79 ALDH1A1 (0.49) L3MBTL3L3MBTL1KCNH2SCN5ASCN10A
SCHEMBL23880061 0.79 SCN9A (0.49) L3MBTL3L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL2733495 0.77 SMN1; SMN2 (0.65) MEN1ALDH1A1KMT2A
SCHEMBL14123327 0.76 HRH3 (0.49) L3MBTL3L3MBTL1MBTD1HRH3KDM4E
SCHEMBL23880056 0.76 ALDH1A1 (0.48) L3MBTL3L3MBTL1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156820-B2 Polycyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-10-30 — — US disclosed
US-8741898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 — — US disclosed
US-8168636-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-05-01 — — US disclosed
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 — — US disclosed
US-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 — — US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 — — 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-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 L3MBTL3 2154/4885L3MBTL1 2161/4885MBTD1 1855/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 L3MBTL3 2154/4885L3MBTL1 2161/4885MBTD1 1855/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 L3MBTL3 2154/4885L3MBTL1 2161/4885MBTD1 1855/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 L3MBTL3 2154/4885L3MBTL1 2161/4885MBTD1 1855/4885
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 L3MBTL3 2154/4885L3MBTL1 2161/4885MBTD1 1855/4885

“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.

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