SCHEMBL7327965

SCHEMBL7327965

CC(C)NC1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
APLNR P35414 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL12258977 1.00 KCNH2 (0.39) KCNH2KDM1AMAOBMAPK1OPRK1
SCHEMBL15016647 1.00 KCNH2 (0.39) KCNH2KDM1AMAOBMAPK1OPRK1
SCHEMBL17776608 0.93 KCNH2 (0.38) KCNH2KDM1AMAOBMAPK1OPRK1
SCHEMBL20079243 0.93 KCNH2 (0.38) KCNH2KDM1AMAOBMAPK1OPRK1
SCHEMBL20079176 0.93 KCNH2 (0.38) KCNH2KDM1AMAOBMAPK1OPRK1
SCHEMBL3632849 0.88
SCHEMBL3980551 0.88
SCHEMBL655594 0.88
Hydrochloric Acid SCHEMBL26685207 0.86 KCNH2 (0.48) KCNH2KDM1AMAOB
SCHEMBL23365995 0.86 GAA (0.36) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
US-20230286945-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2023-09-14 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
US-20230192621-A1 Anti-Cancer/Anti-Fibrosis Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-22 US disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
US-11548872-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-01-10 US disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2022115753-A1 MERGED SCAFFOLD TAF1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-06-02 WO disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 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 (10 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-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 KCNH2 4713/4885KDM1A 569/4885MAOB 3109/4885
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 KCNH2 732/4885KDM1A 2449/4885MAOB 3152/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 KCNH2 4428/4885KDM1A 2668/4885MAOB 3358/4885
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 KCNH2 2047/4885KDM1A 1056/4885MAOB 1842/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS KCNH2 1297/4885KDM1A 2611/4885MAOB 4383/4885
US-20230286945-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A KCNH2 4179/4885KDM1A 3092/4885MAOB 3048/4885
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KCNH2 4201/4885KDM1A 2720/4885MAOB 2010/4885
US-11548872-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof WNT1, WNT3, WNT3A KCNH2 4179/4885KDM1A 3092/4885MAOB 3048/4885
US-20230192621-A1 Anti-Cancer/Anti-Fibrosis Compounds CCL11, MMP1, HDGF KCNH2 4847/4885KDM1A 1779/4885MAOB 4281/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS KCNH2 2349/4885KDM1A 3796/4885MAOB 4297/4885

“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.