SCHEMBL13658019

SCHEMBL13658019

CN(C)c1nc(C(C)(C)C)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
UCHL1 P09936 1/20 0.41
CCR4 P51679 6/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 6/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
NPC1 O15118 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL13210431 0.81 MAPT (0.39) ALDH1A1HTR1AHTR2AHTR7LMNA
SCHEMBL18745862 0.80 ALDH1A1 (0.41) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL15306567 0.80 ALDH1A1 (0.51) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL4743183 0.78 ALDH1A1 (0.61) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL10931661 0.76 UCHL1 (0.49) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL18745594 0.75 ALDH1A1 (0.37) ALDH1A1HTR1AHTR2AHTR7RAB9A
SCHEMBL31264247 0.75 ALDH1A1 (0.67) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL8381528 0.72 ALDH1A1 (0.48) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL8604306 0.72 ALDH1A1 (0.63) ALDH1A1HTR1AHTR2AHTR7UCHL1
SCHEMBL18157876 0.72 CCR4 (0.46) ALDH1A1HTR1AHTR2AHTR7CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319287-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer MISSION THERAPEUTICS LIMITED (GB) 2022-05-03 US disclosed
EP-3800186-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER Mission Therapeutics Limited (GB) 2021-04-07 EP disclosed
US-20200231542-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LIMITED (GB) 2020-07-23 US disclosed
US-10669234-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-02 US disclosed
EP-3322702-B1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LTD (GB) 2019-11-20 EP disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180194724-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LIMITED (GB) 2018-07-12 US disclosed
US-20180194724-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LIMITED (GB) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
WO-2017009650-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-01-19 WO disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7579366-B2 Epothilone derivatives and their synthesis and use THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 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 (10 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 ALDH1A1 601/4885HTR1A 1290/4885HTR2A 1211/4885
US-10669234-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer USP30, USP39, UCHL1 ALDH1A1 875/4885HTR1A 4277/4885HTR2A 4763/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3219/4885HTR1A 1802/4885HTR2A 1419/4885
US-20180194724-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER USP30, USP39, UCHL1 ALDH1A1 875/4885HTR1A 4277/4885HTR2A 4763/4885
US-20200231542-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER USP30, USP39, UCHL1 ALDH1A1 875/4885HTR1A 4277/4885HTR2A 4763/4885
US-11319287-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer USP30, USP39, UCHL1 ALDH1A1 875/4885HTR1A 4277/4885HTR2A 4763/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A ALDH1A1 482/4885HTR1A 1388/4885HTR2A 1121/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3290/4885HTR1A 1172/4885HTR2A 1001/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 ALDH1A1 601/4885HTR1A 1290/4885HTR2A 1211/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3315/4885HTR1A 1197/4885HTR2A 1034/4885

“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.