SCHEMBL17847946

SCHEMBL17847946

Cc1nc(Cl)cc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.41
MAPT P10636 1/20 0.39
DYRK1A Q13627 1/20 0.37
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
HTT P42858 2/20 0.35
PTK2 Q05397 1/20 0.35
TRPA1 O75762 2/20 0.35
ADORA2A P29274 2/20 0.33
METAP2 P50579 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.31
TDO2 P48775 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL17099469 0.80 NOS1 (0.41) NOS1MAPTDYRK1AHTTPTK2
SCHEMBL22291031 0.79 NOS1 (0.44) NOS1MAPTDYRK1APLK4PAK4
SCHEMBL12480000 0.79 MAPT (0.41) NOS1MAPTDYRK1AHTTPTK2
SCHEMBL30966926 0.79 NOS1 (0.44) NOS1MAPTDYRK1APLK4PAK4
SCHEMBL17846136 0.76 NOS1 (0.41) NOS1MAPTDYRK1ATRPA1METAP2
SCHEMBL30746075 0.76 NOS1 (0.41) NOS1MAPTDYRK1ATRPA1METAP2
SCHEMBL22661958 0.76 NOS1 (0.38) NOS1MAPTDYRK1ATRPA1ADORA2A
SCHEMBL24224422 0.73 MAPT (0.37) NOS1MAPTHTTPTK2TRPA1
SCHEMBL22693056 0.73 MAPT (0.37) NOS1MAPTDYRK1AHTTPTK2
SCHEMBL202508 0.72 NOS1 (0.46) NOS1MAPTDYRK1AHTTPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133037-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-06-23 WO disclosed
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
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP 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-2017128917-A1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES 北京诺诚健华医药科技有限公司 2017-08-03 WO disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO 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 NOS1 1878/4885MAPT 2499/4885DYRK1A 1481/4885

“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.