SCHEMBL12709585

SCHEMBL12709585

C=CCN(C)Cc1cc2cc(C(C)C)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.36
▸ CRHR1 P34998 2/20 0.33
▸ CASR P41180 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12881173 0.82 MAOB (0.41) PYCR1ALDH1A1
SCHEMBL12708370 0.81 ACHE (0.41) PYCR1MEN1NPC1RAB9AKMT2A
SCHEMBL12708377 0.76 ACHE (0.47) MEN1KMT2A
SCHEMBL22825114 0.74 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12709549 0.72 TBK1 (0.41) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12357030 0.71 F2 (0.41) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12709593 0.70 KDM4E (0.36) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12732796 0.69 JAK2 (0.45) MEN1MAPTKMT2A
SCHEMBL827500 0.69 TLR8 (0.41) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL12269180 0.66 NPC1 (0.49) KDM4EMEN1NPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — 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 (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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 PYCR1 3840/4885CRHR1 3297/4885CASR 3192/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 PYCR1 3682/4885CRHR1 2600/4885CASR 1795/4885

“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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