SCHEMBL397259

SCHEMBL397259

Cc1cccc(-c2ccccc2N)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.50
CD44 P16070 1/20 0.50
PIK3CA P42336 1/20 0.50
HSD17B10 Q99714 2/20 0.44
DPP4 P27487 1/20 0.42
NUDT1 P36639 3/20 0.41
NPC1 O15118 2/20 0.40
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL22675646 0.88 CYP3A4 (0.59) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL22434026 0.88 ALDH1A1 (0.68) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL3781456 0.86 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL11402724 0.84 CD44 (0.60) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL7647167 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL398724 0.83 ALDH1A1 (0.68) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL218508 0.83 TRPA1 (0.52) ALDH1A1TSHRCD44NUDT1NPC1
SCHEMBL30834716 0.83 TRPA1 (0.52) ALDH1A1TSHRCD44NUDT1NPC1
SCHEMBL3787337 0.82 CD44 (0.62) ALDH1A1L3MBTL1CYP3A4TDP1TSHR
SCHEMBL7939779 0.82 CYP3A4 (0.56) ALDH1A1L3MBTL1CYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114253039-B High brightness, saturation and purity multi-color electrochromic structure, device and manufacturing method 中国科学院苏州纳米技术与纳米仿生研究所 2024-09-20 CN claimed
CN-112835241-B Electronic equipment based on multi-color electrochromic structure and method for hiding functional components 中国科学院苏州纳米技术与纳米仿生研究所 2024-06-18 CN claimed
CN-114253039-B High brightness, saturation and purity multi-color electrochromic structure, device and manufacturing method 中国科学院苏州纳米技术与纳米仿生研究所 2024-09-20 CN disclosed
CN-112835241-B Electronic equipment based on multi-color electrochromic structure and method for hiding functional components 中国科学院苏州纳米技术与纳米仿生研究所 2024-06-18 CN disclosed
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
CN-117279909-A Novel liver selective polyadenylation polymerase inhibitors and methods of use thereof 巴鲁克斯布伦博格研究所 2023-12-22 CN disclosed
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds Theravance Biopharma R&D LP, LLC (US) 2023-08-29 US disclosed
CN-115003675-A Novel functionalized lactams as 5-hydroxytryptamine receptor 7 modulators and methods of use thereof 英联邦高等教育系统坦普尔大学 2022-09-02 CN disclosed
CN-114945575-A Novel functionalized lactones as 5-hydroxytryptamine receptor 7 modulators and methods of use thereof 英联邦高等教育系统坦普尔大学 2022-08-26 CN disclosed
US-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2022-04-14 US disclosed
EP-3746079-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS Bayer Aktiengesellschaft (DE) 2020-12-09 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 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-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS JAK1, JAK3, JAK2 ALDH1A1 2732/4885L3MBTL1 2884/4885CYP3A4 825/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL ALDH1A1 3514/4885L3MBTL1 882/4885CYP3A4 4672/4885
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 ALDH1A1 2732/4885L3MBTL1 2884/4885CYP3A4 825/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885L3MBTL1 3929/4885CYP3A4 3256/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885L3MBTL1 3693/4885CYP3A4 3391/4885

“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.