SCHEMBL12448367

SCHEMBL12448367

COc1ccc(N)cc1OCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.61
CYP2D6 P10635 2/20 0.60
TSHR P16473 2/20 0.60
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2B P41595 3/20 0.53
HTR2C P28335 2/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
SCN1A P35498 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN2A Q99250 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SCN3A Q9NY46 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
SRC P12931 1/20 0.51

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
SCHEMBL1667163 0.95 AXL (0.61) AXLCYP2D6TSHRKDM4ETDP1
SCHEMBL212928 0.93 HTR2C (0.59) AXLCYP2D6TSHRKDM4ETDP1
SCHEMBL4036285 0.91 KDM4E (0.60) AXLCYP2D6TSHRKDM4ETDP1
SCHEMBL2085669 0.88 SYK (0.58) AXLCYP2D6TSHRKDM4ETDP1
SCHEMBL17372611 0.88 EHMT2 (0.60) CYP2D6ALDH1A1CYP1A2SIGMAR1
SCHEMBL5103081 0.86 EHMT2 (0.50) AXLKDM4EHTR2AHRH3
SCHEMBL30764769 0.86 EHMT2 (0.50) AXLKDM4EHTR2AHRH3
SCHEMBL12448376 0.85 ALDH1A1 (0.52) AXLCYP2D6TSHRKDM4EHTR2B
SCHEMBL3813076 0.85 CYP2D6 (0.61) CYP2D6TSHRKDM4ETDP1HTR2B
SCHEMBL12521972 0.85 EHMT2 (0.49) AXLKDM4EALDH1A1MAPK1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 AXL 3917/4885CYP2D6 671/4885TSHR 3676/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 AXL 3917/4885CYP2D6 671/4885TSHR 3676/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK AXL 984/4885CYP2D6 4734/4885TSHR 4513/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB AXL 1909/4885CYP2D6 4397/4885TSHR 4688/4885

“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.