SCHEMBL14213478

SCHEMBL14213478

CC(C)N1C[C@@H](C)[C@H](c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
KDM1A O60341 5/20 0.46
KIF11 P52732 1/20 0.42
KCNH2 Q12809 2/20 0.40
CHRNA7 P36544 1/20 0.39
HTR2C P28335 2/20 0.39
DRD4 P21917 1/20 0.38
CYP2D6 P10635 3/20 0.38
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2B6 P20813 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL21787710 1.00 HRH3 (0.49) HRH3KDM1AKIF11KCNH2CHRNA7
SCHEMBL14627075 1.00 HRH3 (0.49) HRH3KDM1AKIF11KCNH2CHRNA7
SCHEMBL17086699 1.00 HRH3 (0.49) HRH3KDM1AKIF11KCNH2CHRNA7
SCHEMBL8037056 0.88 KDM1A (0.51) HRH3KDM1AKIF11KCNH2CHRNA7
SCHEMBL8025619 0.88 KDM1A (0.51) HRH3KDM1AKIF11KCNH2CHRNA7
SCHEMBL24780648 0.83 SLC6A2 (0.38) HRH3HTR2CCYP2C19CYP1A2CYP2C9
SCHEMBL22962229 0.81 MAOB (0.52) HRH3KDM1AKIF11KCNH2HTR2C
SCHEMBL18022013 0.81 MAOB (0.52) HRH3KDM1AKIF11KCNH2HTR2C
SCHEMBL14213465 0.79 HRH3 (0.48) HRH3KDM1AKIF11KCNH2CHRNA7
SCHEMBL14591980 0.79 KDM1A (0.45) HRH3KDM1AKIF11KCNH2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 US disclosed
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 US disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
EP-3052096-B1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY INC (US) 2018-01-17 EP disclosed
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 US disclosed
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 US disclosed
US-9624228-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2017-04-18 US disclosed
US-9624228-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2017-04-18 US disclosed
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2016-08-18 US disclosed
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2016-08-18 US disclosed
US-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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 (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-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 HRH3 2943/4885KDM1A 2942/4885KIF11 2052/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 HRH3 2943/4885KDM1A 2942/4885KIF11 2052/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 HRH3 2943/4885KDM1A 2942/4885KIF11 2052/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 HRH3 2943/4885KDM1A 2942/4885KIF11 2052/4885
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 HRH3 1736/4885KDM1A 189/4885KIF11 1835/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HRH3 2034/4885KDM1A 2035/4885KIF11 2717/4885

“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.