SCHEMBL13616130

SCHEMBL13616130

CC(=O)N1CCN(c2ccc(C)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
GFER P55789 1/20 0.57
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CHEK1 O14757 1/20 0.51
AOC3 Q16853 8/20 0.50
WNT3A P56704 5/20 0.49
ALK Q9UM73 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 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
SCHEMBL20037657 0.83 AKR1C3 (0.54) MAPTAOC3ALKALDH1A1
SCHEMBL29544175 0.83 CASP6 (0.64) CASP6GFERMAPTMEN1KMT2A
SCHEMBL2450248 0.83 CASP6 (0.64) CASP6GFERMAPTMEN1KMT2A
SCHEMBL1433299 0.83 CHRNB2 (0.55) CASP6GFERMAPTMEN1KMT2A
SCHEMBL13434094 0.81 CASP6 (0.53) CASP6GFERMAPTMEN1KMT2A
SCHEMBL1912372 0.81 GFER (0.54) CASP6GFERMAPTMEN1KMT2A
SCHEMBL11977015 0.80 CASP6 (0.53) CASP6GFERMAPTMEN1KMT2A
SCHEMBL2069135 0.80 CASP6 (0.53) CASP6GFERMAPTMEN1KMT2A
SCHEMBL16437223 0.80 CASP6 (0.53) CASP6GFERMAPTMEN1KMT2A
SCHEMBL6363304 0.80 MEN1 (0.65) MAPTMEN1KMT2AWNT3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 WO disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-2611798-B1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-04-08 EP disclosed
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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 (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-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, TYK2, LCK CASP6 977/4885GFER 4089/4885MAPT 966/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CASP6 2085/4885GFER 3327/4885MAPT 2154/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN CASP6 1523/4885GFER 2777/4885MAPT 4092/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN CASP6 1522/4885GFER 2778/4885MAPT 4131/4885

“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.