SCHEMBL2549477

SCHEMBL2549477

CN(C)CCN(C)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.42
SLC6A4 P31645 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.34
PYCR1 P32322 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12230338 0.87 APP (0.34) APPSLC6A4HTR2AHTR2CMAPT
SCHEMBL22837856 0.87 SLC6A4 (0.41) APPSLC6A4HTR2AMAPTSIGMAR1
SCHEMBL20004504 0.80 L3MBTL1 (0.46) APPMAPTMEN1KMT2A
SCHEMBL29426388 0.80 APP (0.41) APPMAPTPYCR1
SCHEMBL14174805 0.79 ALDH1A1 (0.50) HRH3MAPT
SCHEMBL22804306 0.78 L3MBTL1 (0.39) APPSLC6A4HTR2AHTR2C
SCHEMBL21115197 0.77 TAAR1 (0.54) SLC6A4HTR2AHTR2CHRH3
SCHEMBL16416312 0.77 APP (0.42) APPSLC6A4HTR2AHTR2CHRH3
SCHEMBL55931 0.77 ALDH1A1 (0.52) HRH3MAPTMEN1KMT2A
SCHEMBL4126571 0.76 TAAR1 (0.50) HTR2AMAPTSIGMAR1MEN1TNNI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022146201-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS JOINT STOCK COMPANY "BIOCAD" (RU) 2022-07-07 WO disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-8999968-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-04-07 US disclosed
EP-2417127-B1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2014-02-26 EP disclosed
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 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 (8 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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 APP 4865/4885SLC6A4 4011/4885HTR2A 4344/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 APP 4865/4885SLC6A4 4011/4885HTR2A 4344/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 APP 4821/4885SLC6A4 4239/4885HTR2A 4523/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 APP 4865/4885SLC6A4 4011/4885HTR2A 4344/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 APP 4865/4885SLC6A4 4011/4885HTR2A 4344/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 APP 4865/4885SLC6A4 4011/4885HTR2A 4344/4885
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 APP 4821/4885SLC6A4 4239/4885HTR2A 4523/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 APP 4865/4885SLC6A4 4011/4885HTR2A 4344/4885

“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.