SCHEMBL2736738

SCHEMBL2736738

Cc1cc2cccnc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
CYP2A6 P11509 1/20 0.57
ALDH1A1 P00352 6/20 0.57
NPC1 O15118 3/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
HTT P42858 3/20 0.47
CASP1 P29466 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL11313523 0.83 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1NPC1POLB
SCHEMBL16523084 0.80 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1NPC1POLB
SCHEMBL13305087 0.80 ALDH1A1 (0.53) CYP1A2CYP2A6ALDH1A1NPC1POLB
SCHEMBL17532771 0.76 MAPT (0.55) CYP1A2CYP2A6ALDH1A1NPC1POLB
SCHEMBL23976318 0.75 NR4A2 (0.52) CYP1A2ALDH1A1NPC1POLBRAB9A
SCHEMBL30225346 0.75 NR4A2 (0.52) CYP1A2ALDH1A1NPC1POLBRAB9A
SCHEMBL276949 0.75 ALDH1A1 (0.52) CYP1A2ALDH1A1NPC1POLBRAB9A
SCHEMBL276948 0.75 NPC1 (0.50) CYP1A2ALDH1A1NPC1POLBRAB9A
SCHEMBL1097563 0.75 PDPK1 (0.57) CYP1A2ALDH1A1NPC1POLBRAB9A
SCHEMBL18459133 0.75 NPC1 (0.50) CYP1A2ALDH1A1NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123968-A1 RNA TARGETING COMPOUNDS AND USES THEREOF RANAR THERAPEUTICS, INC. (US) 2024-06-13 WO disclosed
US-20240018175-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-11825740-B2 Amine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-11825740-B2 Amine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-20230354694-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, ELECTONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-02 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-11744146-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-11690289-B2 Organic compound containing heterocyclic ring and having low lumo properties, and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-27 US disclosed
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
WO-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 WO disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
WO-2010140802-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-09 WO disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 WO disclosed
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (9 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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 CYP1A2 1279/4885CYP2A6 1471/4885ALDH1A1 918/4885
US-20240018175-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE GPX1, LAGE3, NFE2L2 CYP1A2 268/4885CYP2A6 814/4885ALDH1A1 17/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI CYP1A2 1830/4885CYP2A6 1911/4885ALDH1A1 1674/4885
US-11690289-B2 Organic compound containing heterocyclic ring and having low lumo properties, and organic electroluminescent device using the same LEF1, PPOX, LIMK1 CYP1A2 77/4885CYP2A6 1011/4885ALDH1A1 111/4885
US-11744146-B2 Amine-based compound and organic light-emitting device including the same AOC2, AOC1, EML4 CYP1A2 456/4885CYP2A6 2759/4885ALDH1A1 76/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CYP1A2 672/4885CYP2A6 1511/4885ALDH1A1 1494/4885
US-11825740-B2 Amine compound and organic light-emitting device including the same AOC2, AOC1, AOC3 CYP1A2 126/4885CYP2A6 2184/4885ALDH1A1 19/4885
US-20230354694-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, ELECTONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, ELP1, EML4 CYP1A2 1405/4885CYP2A6 1245/4885ALDH1A1 98/4885
US-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 CYP1A2 3274/4885CYP2A6 3568/4885ALDH1A1 3672/4885

“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.