SCHEMBL4987913

SCHEMBL4987913

N#CN=C(Nc1ccc(N2CCC(N3CCCC3)CC2)c(F)c1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 10/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
AXL P30530 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MTTP P55157 1/20 0.38
F10 P00742 1/20 0.37
EGFR P00533 1/20 0.36
GALR1 P47211 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4987906 1.00 NPY2R (0.44) NPY2RMEN1MAPTKMT2AAXL
SCHEMBL929052 0.82 NPC1 (0.48) NPY2RMEN1MAPTKMT2AL3MBTL1
SCHEMBL929051 0.82 NPC1 (0.48) NPY2RMEN1MAPTKMT2AL3MBTL1
SCHEMBL467615 0.81 HRH3 (0.42) NPY2RMEN1KMT2AAXLEGFR
SCHEMBL1638512 0.81 HRH3 (0.42) NPY2RMEN1KMT2AAXLEGFR
SCHEMBL19633153 0.81 HRH3 (0.42) NPY2RMEN1KMT2AAXLEGFR
SCHEMBL1638017 0.81 HRH3 (0.42) NPY2RMEN1KMT2AAXLEGFR
SCHEMBL467616 0.81 HRH3 (0.42) NPY2RMEN1KMT2AAXLEGFR
SCHEMBL2253468 0.76 RAB9A (0.44) MEN1MAPTKMT2A
SCHEMBL2253462 0.76 RAB9A (0.44) MEN1MAPTKMT2A

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-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia 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 (3 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK NPY2R 1009/4885MEN1 2808/4885MAPT 2341/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK NPY2R 1009/4885MEN1 2808/4885MAPT 2341/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 NPY2R 450/4885MEN1 3176/4885MAPT 3845/4885

“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.