SCHEMBL17846136

SCHEMBL17846136

Clc1cc2cn[nH]c2c(I)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.41
DYRK1A Q13627 1/20 0.37
MAPKAPK2 P49137 1/20 0.34
TRPA1 O75762 2/20 0.32
MAPT P10636 1/20 0.32
CHEK1 O14757 1/20 0.31
TDO2 P48775 1/20 0.31
FGFR1 P11362 1/20 0.31
METAP2 P50579 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
SCHEMBL30746075 1.00 NOS1 (0.41) NOS1DYRK1AMAPKAPK2TRPA1MAPT
SCHEMBL30966926 0.79 NOS1 (0.44) NOS1DYRK1ATRPA1MAPTCHEK1
SCHEMBL22291031 0.79 NOS1 (0.44) NOS1DYRK1ATRPA1MAPTCHEK1
SCHEMBL17847946 0.76 NOS1 (0.41) NOS1DYRK1ATRPA1MAPTCHEK1
SCHEMBL20106977 0.72 NOS1 (0.50) NOS1DYRK1AMAPKAPK2TRPA1MAPT
SCHEMBL22661958 0.72 NOS1 (0.38) NOS1DYRK1ATRPA1MAPTMETAP2
SCHEMBL17846441 0.72 MAPK1 (0.41) NOS1DYRK1ACHEK1TDO2FGFR1
SCHEMBL24597175 0.71 AHR (0.42) DYRK1ACHEK1
SCHEMBL22715810 0.71 NOS1 (0.37) NOS1DYRK1ACHEK1TDO2FGFR1
SCHEMBL17846105 0.69 NOS1 (0.30) NOS1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115698005-B Fused ring AhR inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed
CN-115698005-A Fused ring AhR inhibitors 山东轩竹医药科技有限公司 2023-02-03 CN disclosed
WO-2022127753-A1 FUSED RING AHR INHIBITOR 山东轩竹医药科技有限公司 2022-06-23 WO disclosed
WO-2022127753-A1 FUSED RING AHR INHIBITOR 山东轩竹医药科技有限公司 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
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170267695-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-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100051-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-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095088-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 (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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 NOS1 1254/4885DYRK1A 1451/4885MAPKAPK2 16/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 NOS1 1878/4885DYRK1A 1481/4885MAPKAPK2 15/4885

“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.