SCHEMBL12372518

SCHEMBL12372518

N#Cc1ccc(Br)cc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
CDC42BPB Q9Y5S2 3/20 0.40
CDC42BPA Q5VT25 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL5792662 0.98 AR (0.50) ARALDH1A1LMNAMAPTHTT
SCHEMBL4454407 0.87 AR (0.57) ARALDH1A1LMNAMAPTHTT
SCHEMBL1331262 0.86 AR (0.56) ARALDH1A1LMNAMAPTHTT
SCHEMBL16793210 0.86 AR (0.56) ARALDH1A1LMNAMAPTHTT
SCHEMBL5557765 0.85 ALDH1A1 (0.49) ALDH1A1HTTROCK2ROCK1CDC42BPB
SCHEMBL16094742 0.85 MAPK1 (0.54) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL26618071 0.83 FFAR4 (0.47) ARALDH1A1LMNANOS3NOS1
Hydrochloric Acid SCHEMBL19385661 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHTTROCK2ROCK1
SCHEMBL4876309 0.82 AR (0.65) ARALDH1A1LMNAMAPTHTT
SCHEMBL4871836 0.82 AR (0.65) ARALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694856-B1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-10-25 EP disclosed
EP-3694856-B1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-10-25 EP disclosed
CN-110066278-B Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2021-06-08 CN disclosed
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
EP-3694856-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2020-08-19 EP disclosed
US-20200113879-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-04-16 US disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
WO-2019100735-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-05-31 WO disclosed
WO-2019100735-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-05-31 WO disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO disclosed
US-20140187556-A1 ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2014-07-03 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA AR 937/4885ALDH1A1 976/4885LMNA 3754/4885
US-20140187556-A1 ANTI-AMYLOID COMPOUNDS AND METHODS APP, BACE1, PRNP AR 4798/4885ALDH1A1 4386/4885LMNA 209/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 AR 4691/4885ALDH1A1 4082/4885LMNA 4842/4885
US-10966970-B2 Fused tricyclic compounds and uses thereof in medicine SLC10A1, CYP11B2, CYP11B1 AR 2274/4885ALDH1A1 1478/4885LMNA 1274/4885
US-20200113879-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SLC10A1, CYP11B2, CYP11B1 AR 2274/4885ALDH1A1 1478/4885LMNA 1274/4885

“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.