SCHEMBL3363728

SCHEMBL3363728

CCCC1CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.32
TSHR P16473 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
SCHEMBL20073870 0.84 GPR119 (0.46) GPR119KMT2AALDH1A1CYP1A2
SCHEMBL87245 0.82 POLB (0.42) GPR119KMT2ALMNAMAPK1ALDH1A1
SCHEMBL11956438 0.80 GPR119 (0.43) GPR119ALDH1A1CYP1A2TSHR
SCHEMBL17307166 0.79 GPR119 (0.36) GPR119
SCHEMBL6460378 0.79 TLR4 (0.35) LMNAMAPK1ALDH1A1
SCHEMBL9895084 0.79 TLR4 (0.35) LMNAMAPK1ALDH1A1
SCHEMBL2212358 0.78 GPR119 (0.35) GPR119
SCHEMBL12401055 0.78 GPR119 (0.35) GPR119LMNAMAPK1
SCHEMBL102412 0.78 GPR119 (0.38) GPR119LMNAMAPK1
SCHEMBL1192952 0.78 GPR119 (0.35) GPR119

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP claimed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US claimed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO claimed
CN-108504364-A Liquid crystal composition 株式会社东进世美肯 2018-09-07 CN disclosed
EP-2909181-B1 PKM2 MODULATORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS INC (US) 2017-08-09 EP disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 US disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP disclosed
EP-1776350-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP disclosed
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 US disclosed
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2006-04-13 US disclosed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US disclosed
WO-2006024932-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (US) 2006-03-09 WO disclosed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 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 (6 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-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 GPR119 11/4885KMT2A 963/4885LMNA 4185/4885
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP GPR119 2308/4885KMT2A 2035/4885LMNA 2653/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP GPR119 2308/4885KMT2A 2035/4885LMNA 2653/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP GPR119 2308/4885KMT2A 2035/4885LMNA 2653/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GPR119 52/4885KMT2A 454/4885LMNA 1822/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GPR119 52/4885KMT2A 454/4885LMNA 1822/4885

“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.