SCHEMBL17864291

SCHEMBL17864291

CN1C[C@H](c2ccc(-c3ccccc3)s2)[C@@H](N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AR P10275 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHEK1 O14757 1/20 0.35
HSD17B2 P37059 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CHRNA7 P36544 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 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
SCHEMBL19381973 0.84 KDM1A (0.40) KDM1AMAOAMAOBSLC6A4SLC6A3
SCHEMBL19368190 0.80 KDM1A (0.38) KDM1AMAOAMAOBSLC6A4SLC6A3
SCHEMBL20656990 0.79 KDM1A (0.71) KDM1AMAOAMAOBSLC6A4SLC6A3
SCHEMBL20656988 0.79 KDM1A (0.71) KDM1AMAOAMAOBSLC6A4SLC6A3
SCHEMBL17864286 0.78 SLC6A2 (0.42) SLC6A4SLC6A3MAPK1
SCHEMBL19349201 0.76 MAPK1 (0.32) MAPK1
SCHEMBL17864293 0.76 MAPK1 (0.32) MAPK1
SCHEMBL21535765 0.73 KDM4E (0.41) ARCHEK1CHRNA7HTR3EHTR3B
SCHEMBL23269920 0.72 MAOB (0.54) KDM1AMAOAMAOBSLC6A4SLC6A3
SCHEMBL16649958 0.72 MAOB (0.54) KDM1AMAOAMAOBSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (1 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 KDM1A 2624/4885MAOA 3119/4885MAOB 2764/4885

“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.