SCHEMBL113997

SCHEMBL113997

NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 8/20 0.74

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
SCHEMBL18826405 1.00 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL18826410 1.00 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL28500884 0.96 ROCK2 (0.93) ROCK2ROCK1
SCHEMBL21412770 0.96 ROCK2 (0.93) ROCK2ROCK1
SCHEMBL21412771 0.96 ROCK2 (0.93) ROCK2ROCK1
Hydrochloric Acid SCHEMBL29192357 0.94 ROCK2 (0.90) ROCK2ROCK1
SCHEMBL20429343 0.93 ROCK2 (0.87) ROCK2ROCK1
SCHEMBL19154156 0.93 ROCK2 (0.87) ROCK2ROCK1
SCHEMBL13074900 0.91 ROCK2 (0.87) ROCK2ROCK1
SCHEMBL18826406 0.91 ROCK2 (0.83) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773580-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF Aerie Pharmaceuticals, Inc. (US) 2021-02-17 EP claimed
US-20190322625-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF ALCON INC. (CH) 2019-10-24 US claimed
WO-2019191654-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2019-10-03 WO claimed
EP-3053913-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2018-03-07 EP claimed
EP-3053913-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2016-08-10 EP claimed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP claimed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO claimed
US-20220144778-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF ALCON INC. (CH) 2022-05-12 US disclosed
US-20220144778-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF ALCON INC. (CH) 2022-05-12 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 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 (5 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-20190322625-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF AADAT, SLC10A1, SLC10A2 ROCK2 3307/4885ROCK1 3706/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885
US-20220144778-A1 MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF AADAT, SLC10A1, SLC10A2 ROCK2 3307/4885ROCK1 3706/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885

“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.