SCHEMBL8047208

SCHEMBL8047208

Cc1ccc2[nH]ncc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.50
IDO1 P14902 2/20 0.43
AXL P30530 3/20 0.41
HAVCR2 Q8TDQ0 1/20 0.38
METAP2 P50579 3/20 0.38
PRKCI P41743 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
DYRK1A Q13627 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL8404436 0.79 IDO1 (0.46) NOS1IDO1AXLMETAP2ESR1
SCHEMBL18135157 0.76 NOS1 (0.55) NOS1IDO1AXLMETAP2DYRK1A
SCHEMBL3534803 0.76 MAPT (0.52) NOS1IDO1AXLMETAP2
SCHEMBL4133588 0.76 NOS1 (0.50) NOS1IDO1AXLMETAP2DYRK1A
SCHEMBL9909086 0.76 TRPA1 (0.47) NOS1IDO1AXLMETAP2ESR1
SCHEMBL25396754 0.76 NOS1 (0.50) NOS1IDO1AXLMETAP2DYRK1A
SCHEMBL19657811 0.76 NOS1 (0.50) NOS1IDO1AXLMETAP2ESR1
SCHEMBL10172282 0.76 NOS1 (0.50) NOS1IDO1AXLMETAP2DYRK1A
SCHEMBL5412653 0.76 NOS1 (0.50) NOS1IDO1AXLMETAP2DYRK1A
SCHEMBL767109 0.76 NOS1 (0.55) NOS1IDO1AXLMETAP2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
EP-3421464-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2021-11-24 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
EP-3421464-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
EP-3421465-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 EP disclosed
EP-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
EP-0630367-B1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LTD (GB) 2000-07-05 EP disclosed
US-5928998-A PRE- AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1999-07-27 US disclosed
US-5444038-A Arylindazoles and their use as herbicides ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0630367-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A NOS1 3973/4885IDO1 3342/4885AXL 3942/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A NOS1 3973/4885IDO1 3342/4885AXL 3942/4885

“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.