SCHEMBL18308985

SCHEMBL18308985

CC(C)(C)c1ccc(N2CCC(N3CCNCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
KHK P50053 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MBTD1 Q05BQ5 3/20 0.45
ADRB1 P08588 3/20 0.45
HPGD P15428 2/20 0.42
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
TP53BP1 Q12888 2/20 0.40
L3MBTL4 Q8NA19 1/20 0.40

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
SCHEMBL24123774 0.86 L3MBTL3 (0.68) L3MBTL3L3MBTL1HRH3MBTD1KMT2A
SCHEMBL10203058 0.86 L3MBTL3 (0.73) L3MBTL3L3MBTL1HRH3MBTD1KMT2A
SCHEMBL25675681 0.84 L3MBTL3 (0.71) L3MBTL3L3MBTL1HRH3MBTD1KMT2A
SCHEMBL270283 0.84 ADRB1 (0.62) ADRB1HPGDHTR3EHTR3BHTR3A
SCHEMBL12744643 0.83 L3MBTL3 (0.54) L3MBTL3L3MBTL1HRH3MBTD1SIGMAR1
SCHEMBL14329223 0.83 L3MBTL3 (0.54) L3MBTL3L3MBTL1HRH3MBTD1KMT2A
SCHEMBL18311444 0.83 ADRB1 (0.68) L3MBTL3L3MBTL1KHKMBTD1ADRB1
SCHEMBL12666610 0.82 KMT2A (0.56) L3MBTL3L3MBTL1HRH3KMT2AMEN1
SCHEMBL25678723 0.81 L3MBTL3 (0.51) L3MBTL3L3MBTL1HRH3MBTD1KMT2A
SCHEMBL14850179 0.80 ALDH1A1 (0.57) L3MBTL3L3MBTL1HRH3MBTD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051842-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES, LLC 2023-02-16 US disclosed
US-20230027072-A1 IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 ASANA BIOSCIENCES, LLC 2023-01-26 US disclosed
US-10751332-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer ASANA BIOSCIENCES, LLC (US) 2020-08-25 US disclosed
US-20200179356-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES, LLC 2020-06-11 US disclosed
US-10471051-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer ASANA BIOSCIENCES, LLC (US) 2019-11-12 US disclosed
US-9896445-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer Ansana BioSciences, LLC (US) 2018-02-20 US disclosed
US-9896445-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer Ansana BioSciences, LLC (US) 2018-02-20 US disclosed
US-20170362216-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATEMENT OF CANCER ASANA BIOSCIENCES, LLC 2017-12-21 US disclosed
US-20170362216-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATEMENT OF CANCER ASANA BIOSCIENCES, LLC 2017-12-21 US disclosed
US-20160362406-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES, LLC (US) 2016-12-15 US disclosed
US-20160362407-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES, LLC (US) 2016-12-15 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-20230051842-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER KRAS, NRAS, RAF1 L3MBTL3 1384/4885L3MBTL1 1200/4885KHK 1051/4885
US-20160362407-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER KRAS, NRAS, RAF1 L3MBTL3 1384/4885L3MBTL1 1200/4885KHK 1051/4885
US-10751332-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer KRAS, NRAS, RAF1 L3MBTL3 1384/4885L3MBTL1 1200/4885KHK 1051/4885
US-20170362216-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATEMENT OF CANCER KRAS, NRAS, RAF1 L3MBTL3 1913/4885L3MBTL1 1459/4885KHK 1048/4885
US-10471051-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer KRAS, NRAS, RAF1 L3MBTL3 1384/4885L3MBTL1 1200/4885KHK 1051/4885
US-20160362406-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER KRAS, NRAS, RAF1 L3MBTL3 1384/4885L3MBTL1 1200/4885KHK 1051/4885
US-20200179356-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER KRAS, NRAS, RAF1 L3MBTL3 1384/4885L3MBTL1 1200/4885KHK 1051/4885
US-20230027072-A1 IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 KRAS, NRAS, BRAF L3MBTL3 2074/4885L3MBTL1 2417/4885KHK 513/4885

“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.