SCHEMBL2201317

SCHEMBL2201317

Clc1ccccc1-c1cs[c]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
CYP19A1 P11511 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
LDHA P00338 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL467854 0.85 IDO1 (0.45) IDO1CNR2
SCHEMBL9220286 0.80 CYP1A2 (0.45) CYP2A6ALDH1A1TDP1KDM4ELMNA
SCHEMBL2750777 0.78 IDO1 (0.45) IDO1ALDH1A1RAB9ATP53KDM4E
SCHEMBL3858714 0.78 HTR2C (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2753788 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL7227702 0.77 IDO1 (0.42) IDO1ATP4AATP4BALDH1A1NPC1
SCHEMBL17626029 0.77 MPL (0.49) IDO1ALDH1A1L3MBTL1TDP1NPC1
SCHEMBL17626021 0.77 LMNA (0.50) IDO1ALDH1A1L3MBTL1TDP1NPC1
SCHEMBL7325044 0.77 ALDH1A2 (0.35) CYP2A6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17626078 0.77 NPC1 (0.36) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
CN-1989131-A Substituted thiophene derivatives as anti-cancer agents CHIRON CORP (US) 2007-06-27 CN claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
CN-1170813-C N2 phenylamidine derivatives �ݶ�ũ�����޹�˾ 2004-10-13 CN claimed
CN-1124844-C Stable lyophilized pharmaceutical preparation SANOFI SYNTHELABO (FR) 2003-10-22 CN claimed
CN-1203527-A Stable freeze-dried pharmaceutical formulation SANOFI SA (FR) 1998-12-30 CN claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO disclosed
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 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 (7 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-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 IDO1 541/4885CYP19A1 1620/4885ATP4A 2480/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA IDO1 3135/4885CYP19A1 3339/4885ATP4A 1144/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 IDO1 1747/4885CYP19A1 128/4885ATP4A 1971/4885
US-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R IDO1 1849/4885CYP19A1 283/4885ATP4A 2967/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 IDO1 541/4885CYP19A1 1620/4885ATP4A 2480/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 IDO1 520/4885CYP19A1 821/4885ATP4A 1734/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 IDO1 541/4885CYP19A1 1620/4885ATP4A 2480/4885

“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.