SCHEMBL4067246

SCHEMBL4067246

C=CCNC1CC2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
EPHX2 P34913 2/20 0.40
SIGMAR1 Q99720 4/20 0.39
MAPT P10636 3/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5499201 0.90 HTR1A (0.34) DPP4EPHX2
SCHEMBL1786896 0.77 EPHX2 (0.43) DPP4EPHX2SIGMAR1MAPTGRIN2D
SCHEMBL8357133 0.72 MAPT (0.46) DPP4EPHX2SIGMAR1MAPTGRIN2D
Hydrochloric Acid SCHEMBL17846422 0.71 MAPT (0.44) DPP4EPHX2SIGMAR1MAPTGRIN2D
SCHEMBL5988119 0.71 DPP4 (0.55) DPP4EPHX2SIGMAR1MAPTGRIN2D
SCHEMBL10312481 0.69 EPHX2 (0.44) DPP4EPHX2SIGMAR1MAPTGRIN2D
SCHEMBL17456133 0.69 MAPT (0.43) DPP4EPHX2SIGMAR1MAPTGRIN2D
SCHEMBL8040794 0.69 EPHX2 (0.44) DPP4EPHX2SIGMAR1MAPTGRIN2D
SCHEMBL6232625 0.69 HPGD (0.54) EPHX2SIGMAR1MAPTGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL5987777 0.69 DPP4 (0.54) DPP4EPHX2SIGMAR1MAPTGRIN2D

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 10 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
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2079736-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP 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
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
US-4016262-A ANTILIPOLYTIC, HYPERLIPEMIA, ANTICHOLESTEROL AGENTS BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-04-05 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 (4 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 DPP4 1251/4885EPHX2 3706/4885SIGMAR1 2705/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK DPP4 1251/4885EPHX2 3706/4885SIGMAR1 2705/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK DPP4 1251/4885EPHX2 3706/4885SIGMAR1 2705/4885
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 DPP4 483/4885EPHX2 2934/4885SIGMAR1 2052/4885

“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.