SCHEMBL3357774

SCHEMBL3357774

O=c1[nH]cnc2ncsc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PDPK1 O15530 8/20 0.48
PARP1 P09874 1/20 0.48
CXCR2 P25025 1/20 0.38
CDC7 O00311 1/20 0.38
IKBKB O14920 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
FES P07332 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 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
SCHEMBL4402259 0.69 CXCR2 (0.37) ALDH1A1CXCR2CNOT7
SCHEMBL2447243 0.68 CXCR2 (0.36) CXCR2CNOT7
SCHEMBL4403095 0.68 PDPK1 (0.47) ALDH1A1PDPK1PARP1CDC7IKBKB
SCHEMBL2443068 0.68 ALDH1A1 (0.47) ALDH1A1PDPK1PARP1CDC7IKBKB
Hypoxanthine SCHEMBL25381 0.67 ALDH1A1 (1.00) ALDH1A1PDPK1AURKACDK2RAB9A
Hypoxanthine SCHEMBL30096461 0.67 ALDH1A1 (1.00) ALDH1A1PDPK1AURKACDK2RAB9A
Hypoxanthine SCHEMBL7037918 0.67 ALDH1A1 (1.00) ALDH1A1PDPK1AURKACDK2RAB9A
SCHEMBL16384769 0.67 ALDH1A1 (0.45) ALDH1A1PDPK1PARP1CDC7IKBKB
SCHEMBL8278862 0.67 CXCR2 (0.51) ALDH1A1PARP1CXCR2CDC7PIM1
SCHEMBL9151696 0.67 KDM4E (0.50) ALDH1A1CXCR2LMNAMAPTPNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
US-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO INC (US) 2026-03-26 US disclosed
EP-4496785-B1 PESTICIDAL AND HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2025-12-24 EP disclosed
US-12497401-B2 Substituted tetrazoles as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-12-16 US disclosed
US-20250353862-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2025-11-20 US disclosed
US-12441689-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2025-10-14 US disclosed
US-12404283-B2 c-MYC mRNA translation modulators and uses thereof in the treatment of cancer ANIMA BIOTECH INC. (US) 2025-09-02 US disclosed
EP-4463452-B1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC (US) 2025-07-30 EP disclosed
US-20250212875-A1 PESTICIDAL AND HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2025-07-03 US disclosed
US-12344600-B2 c-Myc mRNA translation modulators and uses thereof in the treatment of cancer ANIMA BIOTECH INC. (US) 2025-07-01 US disclosed
EP-1912639-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-09 US disclosed
WO-2007056846-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-05-24 WO disclosed
WO-2007019191-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-15 WO disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP ALDH1A1 96/4885PDPK1 3588/4885PARP1 2186/4885
US-20250212875-A1 PESTICIDAL AND HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF DDT, ACHE, NOTUM ALDH1A1 727/4885PDPK1 1021/4885PARP1 4559/4885
US-20250353862-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER MYC, MYCBP, MYCBP2 ALDH1A1 4445/4885PDPK1 1724/4885PARP1 1995/4885
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors ABL1, MAP3K19, PI4KB ALDH1A1 2812/4885PDPK1 33/4885PARP1 1462/4885
US-12404283-B2 c-MYC mRNA translation modulators and uses thereof in the treatment of cancer MYC, MYCBP, MYCBP2 ALDH1A1 4445/4885PDPK1 1724/4885PARP1 1995/4885
US-12344600-B2 c-Myc mRNA translation modulators and uses thereof in the treatment of cancer MYC, MYCBP, MYCBP2 ALDH1A1 4471/4885PDPK1 1613/4885PARP1 1831/4885
US-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ACSL3 ALDH1A1 1031/4885PDPK1 344/4885PARP1 180/4885
US-12497401-B2 Substituted tetrazoles as TRPA1 inhibitors TRPA1, TRPV1, TRPV2 ALDH1A1 1673/4885PDPK1 2031/4885PARP1 3093/4885
US-12441689-B2 ACSS2 inhibitors and methods of use thereof ACSS2, ADSS2, GLS2 ALDH1A1 347/4885PDPK1 260/4885PARP1 434/4885

“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.