SCHEMBL2192969

SCHEMBL2192969

Cc1nc2c(OCc3ccccc3)nccn2c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 1.00
ATP4B P51164 7/20 1.00
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
IGF1R P08069 2/20 0.43
DAPK1 P53355 3/20 0.43
MGMT P16455 3/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42

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 SCHEMBL2192249 0.99 ATP4A (0.97) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL11005085 0.88 ATP4A (0.78) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL10918911 0.86 ATP4A (0.76) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL7984904 0.84 ATP4A (0.73) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL11001197 0.84 ATP4A (0.73) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL10918297 0.81 ATP4A (0.68) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL10531597 0.80 ATP4A (0.69) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL10919559 0.80 ATP4A (0.67) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL2191144 0.80 ATP4A (1.00) ATP4AATP4BL3MBTL1CYP3A4CYP1A2
SCHEMBL2193396 0.79 ATP4A (0.67) ATP4AATP4BL3MBTL1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103437-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-12-20 EP claimed
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US claimed
EP-0068378-B1 NOVEL IMIDAZO(1,2-A)PYRIDINES AND PYRAZINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-05 EP claimed
US-4507294-A TREATMENT OF PEPTIC ULCERS SCHERING CORP. (US) 1985-03-26 US claimed
EP-3103437-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-12-20 EP disclosed
EP-2521531-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-07-12 EP disclosed
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-02-09 US disclosed
EP-3103437-A1 SKIN LIGHTENING COMPOSITIONS ELC Management LLC (US) 2016-12-14 EP disclosed
US-9314415-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2016-04-19 US disclosed
US-8992897-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2015-03-31 US disclosed
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US disclosed
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-07-31 US disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO disclosed
WO-2001085167-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
EP-0339071-A1 IMIDAZO(1,2-a)(PYRIDAZINES OR PYRAZINES) FOR TREATMENT OF DISEASES RELATED TO BONE LOSS Aktiebolaget Hässle (SE) 1989-11-02 EP disclosed
WO-1989003833-A1 IMIDAZO(1,2-a)(PYRIDAZINES OR PYRAZINES) FOR TREATMENT OF DISEASES RELATED TO BONE LOSS Aktiebolaget Hässle (SE) 1989-05-05 WO disclosed
EP-0068378-B1 NOVEL IMIDAZO(1,2-A)PYRIDINES AND PYRAZINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-05 EP disclosed
US-4507294-A TREATMENT OF PEPTIC ULCERS SCHERING CORP. (US) 1985-03-26 US 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 (3 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-20140212365-A9 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885L3MBTL1 2878/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885L3MBTL1 2878/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885L3MBTL1 2878/4885

“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.