SCHEMBL16799744

SCHEMBL16799744

CC(C)Nc1nc[c]cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
GAA P10253 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
KCNH3 Q9ULD8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
CTSK P43235 1/20 0.33
MAPK8 P45983 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 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
Isaxonine SCHEMBL1270289 0.74 KCNH3 (0.43) HTTMAPK1LMNAF2GAA
SCHEMBL3423880 0.72 GAA (0.41) HTTMAPK1LMNAF2GAA
SCHEMBL356793 0.70
SCHEMBL10293489 0.70 APLNR (0.41) HTTMAPK1LMNAF2GAA
SCHEMBL742490 0.69 HCAR3 (0.41) HTTLMNATDP1KMT2AMEN1
SCHEMBL20998357 0.69 LMNA (0.57) HTTMAPK1LMNAF2GAA
SCHEMBL24247164 0.68 GAA (0.38) HTTMAPK1LMNAF2GAA
SCHEMBL20341671 0.68 L3MBTL1 (0.40) HTTMAPK1LMNAF2GAA
SCHEMBL11376566 0.68 GAA (0.48) HTTMAPK1LMNAF2GAA
SCHEMBL21046841 0.68 GAA (0.38) HTTMAPK1LMNAF2GAA

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-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP claimed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US claimed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP claimed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US claimed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
EP-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP disclosed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US disclosed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP disclosed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US disclosed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO 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 (2 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC HTT 36/4885MAPK1 4594/4885LMNA 1231/4885
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 HTT 3706/4885MAPK1 3475/4885LMNA 277/4885

“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.