SCHEMBL3602432

SCHEMBL3602432

O=C(O)c1nc2c(s1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.46
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PDCD1 Q15116 6/20 0.35
CD274 Q9NZQ7 6/20 0.35
PNMT P11086 2/20 0.34
CHKA P35790 1/20 0.33
ADORA1 P30542 2/20 0.32
OGA O60502 1/20 0.31
TSHR P16473 2/20 0.31
SLC6A1 P30531 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 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
Hydrochloric Acid SCHEMBL3441376 0.98 HDAC2 (0.46) HDAC2F10F2PTPRCPTPN2
SCHEMBL3648757 0.85 HDAC2 (0.48) HDAC2F10F2PDCD1CD274
SCHEMBL30916131 0.82 HDAC2 (0.52) HDAC2F10F2PTPRCPTPN2
Trifluoroacetic Acid SCHEMBL22395815 0.79 HDAC2 (0.45) HDAC2F10F2PDCD1CD274
SCHEMBL9386314 0.78 PDCD1 (0.38) HDAC2F10F2PDCD1CD274
SCHEMBL977531 0.77 ADORA1 (0.52) HDAC2F10F2PDCD1CD274
Hydrochloric Acid SCHEMBL978519 0.76 ADORA1 (0.53) HDAC2F10F2PDCD1CD274
SCHEMBL15653322 0.74 RAB9A (0.49) TSHR
SCHEMBL8003326 0.74 PDK1 (0.47) ADORA1TSHR
Trifluoroacetic Acid SCHEMBL207985 0.73 HDAC2 (0.38) HDAC2F10F2PTPRCPTPN2

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
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
CN-116600810-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-15 CN disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 WO disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 HDAC2 2837/4885F10 3073/4885F2 3429/4885
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 HDAC2 328/4885F10 4085/4885F2 3695/4885

“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.