SCHEMBL21591736

SCHEMBL21591736

Nc1nc2c(I)ccc(Cl)c2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 2/20 0.34
HTT P42858 1/20 0.34
PDPK1 O15530 1/20 0.33
ILK Q13418 1/20 0.33
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL6664363 0.84 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL101871 0.78 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL21099719 0.78 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL106132 0.78 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL23120655 0.78 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM4EPDE10AALDH1A1
SCHEMBL25167805 0.78 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL30987788 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL29860492 0.78 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL24615643 0.74 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL687610 0.74 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2024-05-02 US disclosed
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11639352-B2 Benzothiazole compounds for the treatment of autoimmune diseases HOFFMAN-LA ROCHE INC. (US) 2023-05-02 US disclosed
US-11639352-B2 Benzothiazole compounds for the treatment of autoimmune diseases HOFFMAN-LA ROCHE INC. (US) 2023-05-02 US disclosed
US-11639352-B2 Benzothiazole compounds for the treatment of autoimmune diseases HOFFMAN-LA ROCHE INC. (US) 2023-05-02 US disclosed
US-20210340136-A1 BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC. (US) 2021-11-04 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
EP-3847169-A1 BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
CN-112638908-A Benzothiazoles for treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-09 CN disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
EP-3623369-A1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2020-03-18 EP disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 SMN1; SMN2 2573/4885LMNA 3828/4885MEN1 147/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 SMN1; SMN2 2864/4885LMNA 4168/4885MEN1 181/4885
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF KRAS, NRAS, G3BP1 SMN1; SMN2 1542/4885LMNA 1220/4885MEN1 130/4885
US-20210340136-A1 BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, BET1, HLA-DRB1 SMN1; SMN2 2209/4885LMNA 4425/4885MEN1 328/4885
US-11639352-B2 Benzothiazole compounds for the treatment of autoimmune diseases SSB, BET1, HLA-DRB1 SMN1; SMN2 2209/4885LMNA 4425/4885MEN1 328/4885

“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.