Sugi Predict

Sugi Predict / Compounds / SCHEMBL2191092

SCHEMBL2191092

SCHEMBL2191092

Cc1nc2c(CCc3ccccc3)cccn2c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 9/20 1.00
▸ ATP4B P51164 9/20 1.00
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DHFR P00374 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL2193550 0.81 ATP4A (0.73) ATP4AATP4BKDM4EALDH1A1HPGD
SCHEMBL11070546 0.80 ATP4A (0.66) ATP4AATP4BKDM4EALDH1A1HPGD
SCHEMBL10533466 0.79 ATP4A (0.65) ATP4AATP4BKDM4ENPC1ALDH1A1
SCHEMBL2192235 0.79 ATP4A (0.64) ATP4AATP4BKDM4EALDH1A1GLA
SCHEMBL2191115 0.79 ATP4A (1.00) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL10532145 0.76 ATP4A (0.61) ATP4AATP4BKDM4ENPC1ALDH1A1
SCHEMBL8131625 0.76 ATP4A (0.60) ATP4AATP4BKDM4EALDH1A1RAB9A
SCHEMBL2191144 0.75 ATP4A (1.00) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11275143 0.75 ATP4A (0.59) ATP4AATP4BHSD17B10MEN1KMT2A
SCHEMBL10918758 0.73 ATP4A (1.00) ATP4AATP4BKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 — — US claimed
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
US-20140154190-A1 Skin Lightening Compositions ELC MANAGEMENT, LLC (US) 2014-06-05 — — US disclosed
US-20110171149-A1 Skin Lightening Compositions ELC MANAGEMENT LLC 2011-07-14 — — US disclosed
WO-2011085015-A2 SKIN LIGHTENING COMPOSITIONS ELC MANAGEMENT LLC (US) 2011-07-14 — — WO disclosed
US-7196196-B2 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 — — US disclosed
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 — — US 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-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 — — US disclosed
EP-0068378-A1 Novel imidazo(1,2-a)pyridines and pyrazines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-01-05 — — EP 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 (6 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-20110171149-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885KDM4E 2231/4885
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885KDM4E 2231/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885KDM4E 2231/4885
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BTN3A1, DHPS, NISCH ATP4A 2872/4885ATP4B 2849/4885KDM4E 3002/4885
US-20140154190-A1 Skin Lightening Compositions TYR, MC1R, AHR ATP4A 3964/4885ATP4B 4059/4885KDM4E 642/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885KDM4E 2231/4885

“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.