SCHEMBL674512

SCHEMBL674512

Clc1cnc2[nH]c3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.54
GABRD O14764 3/20 0.54
GABRA1 P14867 3/20 0.54
GABRB1 P18505 3/20 0.54
GABRG2 P18507 3/20 0.54
GABRB3 P28472 3/20 0.54
GABRA5 P31644 3/20 0.54
GABRA3 P34903 3/20 0.54
GABRA2 P47869 3/20 0.54
GABRB2 P47870 3/20 0.54
GABRA4 P48169 3/20 0.54
GABRE P78334 3/20 0.54
GABRA6 Q16445 3/20 0.54
GABRG1 Q8N1C3 3/20 0.54
GABRG3 Q99928 3/20 0.54
GABRQ Q9UN88 3/20 0.54
JAK2 O60674 1/20 0.49
MAP2 P11137 1/20 0.48
PTK6 Q13882 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL15873503 0.83 CHUK (0.54) JAK2MAP2ALDH1A1HSD17B10KMT2A
SCHEMBL3454670 0.81 PARP1 (0.57) JAK2MAP2ALDH1A1GPR3HSD17B10
SCHEMBL676235 0.80 JAK2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13460985 0.80 JAK2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3890352 0.80 PDK2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29990938 0.80 PDK2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15318812 0.80 CHEK1 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15999445 0.80 CA5A (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31285932 0.80 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22587704 0.80 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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-11731968-B2 Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2023-08-22 US disclosed
US-11731968-B2 Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2023-08-22 US disclosed
US-11731968-B2 Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2023-08-22 US disclosed
CN-106632491-B Organometallic complex, light-emitting element, electronic device, and lighting device 株式会社半导体能源研究所 2021-11-30 CN disclosed
EP-3810139-A1 TRICYCLIC PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HepaRegeniX GmbH (DE) 2021-04-28 EP disclosed
WO-2019243315-A1 TRICYCLIC PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2019-12-26 WO disclosed
WO-2019243315-A1 TRICYCLIC PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2019-12-26 WO disclosed
US-9843002-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-12 US disclosed
US-9843002-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-12 US disclosed
US-20170125707-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-05-04 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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 (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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 GABRP 1612/4885GABRD 2488/4885GABRA1 1267/4885
US-11731968-B2 Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP4K1, MAP4K4 GABRP 4634/4885GABRD 4624/4885GABRA1 4815/4885
US-20170125707-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device IDO1, INTS9, IDO2 GABRP 3742/4885GABRD 4264/4885GABRA1 2945/4885

“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.