SCHEMBL3044712

SCHEMBL3044712

Nc1nccc(-c2nccs2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 1.00
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SYK P43405 9/20 0.50
RAB9A P51151 1/20 0.50
ADORA2A P29274 2/20 0.48
AURKA O14965 1/20 0.48
PRKACA P17612 1/20 0.48
SRC P12931 4/20 0.48
ZAP70 P43403 3/20 0.48
ADORA1 P30542 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CDK2 P24941 3/20 0.45
CCNE1 P24864 2/20 0.45
CDK4 P11802 1/20 0.45
HSP90AB1 P08238 1/20 0.43
PTK2 Q05397 1/20 0.43
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43

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
Bromide SCHEMBL5698717 0.98 HSP90AA1 (0.96) HSP90AA1KDM4EALDH1A1SYKRAB9A
SCHEMBL8353909 0.82 HSP90AA1 (0.70) HSP90AA1SYKRAB9ASRCZAP70
SCHEMBL30511083 0.79
SCHEMBL14202647 0.77 HSP90AA1 (0.62) HSP90AA1SYKRAB9ASRCZAP70
SCHEMBL1536531 0.77 HSP90AA1 (0.62) HSP90AA1SYKRAB9AADORA2ASRC
SCHEMBL25233346 0.77 HSP90AA1 (0.62) HSP90AA1KDM4ESYKRAB9ASRC
SCHEMBL4902877 0.75 RAB9A (0.61) HSP90AA1KDM4EALDH1A1SYKRAB9A
SCHEMBL929763 0.74 HSP90AA1 (0.59) HSP90AA1ALDH1A1SYKRAB9AADORA2A
SCHEMBL28996170 0.73 HSP90AA1 (0.58) HSP90AA1ALDH1A1SYKRAB9AADORA2A
SCHEMBL13924428 0.73 SYK (0.62) HSP90AA1SYKRAB9ASRCZAP70

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN claimed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN claimed
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN disclosed
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN disclosed
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN disclosed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-107118207-A The preparation method of one class CDK inhibitor 苏州东南药业股份有限公司 2017-09-01 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-7488727-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-10 US disclosed
US-7488727-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-10 US disclosed
US-20070249645-A1 THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED 2007-10-25 US disclosed
US-20070249645-A1 THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED 2007-10-25 US disclosed
US-7256190-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-14 US disclosed
US-7256190-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-14 US 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSP90AA1 154/4885KDM4E 4164/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSP90AA1 154/4885KDM4E 4164/4885ALDH1A1 1930/4885
US-20070249645-A1 THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASE BTK, AURKC, GSK3B HSP90AA1 1568/4885KDM4E 1294/4885ALDH1A1 3785/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSP90AA1 154/4885KDM4E 4164/4885ALDH1A1 1930/4885

“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.