SCHEMBL4600722

SCHEMBL4600722

O=C(Nc1ccccc1)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 1.00
PIM1 P11309 1/20 1.00
CDK2 P24941 1/20 1.00
GSK3B P49841 1/20 1.00
SMN1; SMN2 Q16637 7/20 0.72
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
MAPT P10636 3/20 0.72
CYP1A2 P05177 3/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
HTT P42858 2/20 0.72
CASP3 P42574 1/20 0.72
SENP8 Q96LD8 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
LMNA P02545 4/20 0.69

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
SCHEMBL23069040 0.94 AURKA (0.88) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL1339958 0.85 AURKA (0.74) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL7261477 0.84 SMN1; SMN2 (0.73) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL4915214 0.84 SMN1; SMN2 (0.73) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL27861124 0.84 SMN1; SMN2 (0.73) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL17207741 0.82 MEN1 (1.00) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL28796060 0.82 NPC1 (0.71) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL19501258 0.81 AURKA (0.67) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL5979445 0.81 AURKA (0.65) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL4912447 0.80 MAPT (0.72) AURKAPIM1CDK2GSK3BSMN1; 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740484-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA HOLDINGS PTY LTD (AU) 2020-11-25 EP claimed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-1248615-A4 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-08-04 EP disclosed
US-20030225146-A1 Method for treating fibrotic diseases or other indications utilizing thiazole, oxazole and imidazole compounds SYNVISTA THERAPEUTICS, INC. 2003-12-04 US disclosed
US-6596744-B2 Administering thiazole compound for therapy of fibrotic diseases ALTEON, INC. 2003-07-22 US disclosed
US-20020183317-A1 Method for treating fibrotic diseases or other indications IIC SYNVISTA THERAPEUTICS, INC. 2002-12-05 US disclosed
EP-1248615-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-10-16 EP disclosed
US-20020119970-A1 Method for treating glaucoma IIB SYNVISTA THERAPEUTICS, INC. 2002-08-29 US disclosed
US-20020022622-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-02-21 US disclosed
WO-2001052847-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-07-26 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-20020022622-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, NDUFAB1, HSPE1 AURKA 2088/4885PIM1 774/4885CDK2 441/4885
US-20020183317-A1 Method for treating fibrotic diseases or other indications IIC MMP1, COL1A1, COL2A1 AURKA 4874/4885PIM1 4022/4885CDK2 3063/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 AURKA 1224/4885PIM1 470/4885CDK2 866/4885
US-20030225146-A1 Method for treating fibrotic diseases or other indications utilizing thiazole, oxazole and imidazole compounds MMP1, COL1A1, FGF1 AURKA 4236/4885PIM1 1813/4885CDK2 2001/4885
US-20020119970-A1 Method for treating glaucoma IIB NDUFB9, NDUFB2, NDUFB7 AURKA 3355/4885PIM1 4418/4885CDK2 1910/4885

“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.