SCHEMBL12732795

SCHEMBL12732795

C=CCN(C)Cc1cc2cc(N/C(=N/C#N)Oc3ccccc3)ccc2o1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ F2 P00734 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
SCHEMBL12864581 0.87 ALDH1A1 (0.36) ALDH1A1HSD17B10MAPTCA9KDM4E
SCHEMBL14257598 0.68 MAPT (0.58) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL12881173 0.68 MAOB (0.41) ALDH1A1CA9
SCHEMBL2087130 0.67 KMT2A (0.43) ALDH1A1HSD17B10MAPTKDM4ENPC1
SCHEMBL4920373 0.67 KMT2A (0.43) ALDH1A1HSD17B10MAPTKDM4ENPC1
SCHEMBL12793870 0.67 KMT2A (0.43) ALDH1A1HSD17B10MAPTKDM4ENPC1
SCHEMBL12708370 0.67 ACHE (0.41) NPC1RAB9AF2
SCHEMBL23576281 0.67 KMT2A (0.43) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL12708322 0.67 KMT2A (0.43) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL2088645 0.66 POLB (0.47) ALDH1A1MAPTKDM4ENPC1LMNA

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-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
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 — — 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 (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 ALDH1A1 3801/4885HSD17B10 3572/4885MAPT 2385/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 ALDH1A1 4026/4885HSD17B10 4182/4885MAPT 2368/4885

“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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