SCHEMBL12141

SCHEMBL12141

Cc1cccc2[nH]ncc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.60
▸ NOS1 P29475 4/20 0.59
▸ AXL P30530 2/20 0.59
▸ METAP2 P50579 2/20 0.53
▸ JAK2 O60674 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ MET P08581 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ TRPA1 O75762 1/20 0.42

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
SCHEMBL31190582 0.86 IDO1 (0.55) IDO1NOS1AXLMETAP2JAK2
SCHEMBL12315709 0.83 METAP2 (0.64) IDO1NOS1AXLMETAP2JAK2
SCHEMBL28633087 0.78 NOS1 (0.59) IDO1NOS1AXLMETAP2JAK2
SCHEMBL24460610 0.77 IDO1 (0.46) IDO1NOS1AXLMETAP2JAK2
SCHEMBL12601112 0.76 NOS1 (0.61) IDO1NOS1AXLMETAP2JAK2
SCHEMBL476854 0.74 NOS1 (1.00) IDO1NOS1AXLMETAP2JAK2
SCHEMBL4314318 0.74 NOS1 (1.00) IDO1NOS1AXLMETAP2JAK2
SCHEMBL18193497 0.74 NOS1 (0.59) IDO1NOS1AXLMETAP2JAK2
SCHEMBL277054 0.74 NOS1 (0.59) IDO1NOS1AXLMETAP2JAK2
SCHEMBL277055 0.74 NOS1 (0.59) IDO1NOS1AXLMETAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111788183-B Heterocyclic fused phenyl compounds useful for inhibiting TNIK and medical uses thereof 韩国化学硏究院 2024-02-23 — — CN claimed
EP-3749647-B1 N-(5-(PHENYL)-1H-PYRAZOL-3-YL)-1H-INDOL-5-AMINE DERIVATIVES AS TNIK INHIBITORS FOR THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-09-27 — — EP claimed
US-11447469-B2 Hetero ring-fused phenyl compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-09-20 — — US claimed
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 — — US claimed
EP-3749647-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2020-12-16 — — EP claimed
CN-111788183-A Heterocyclic fused phenyl compounds for inhibiting TNIK and medical uses thereof 韩国化学硏究院 2020-10-16 — — CN claimed
WO-2019156438-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 — — WO claimed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US claimed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 — — US claimed
US-20250230157-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS RAPPORT THERAPEUTICS, INC. 2025-07-17 — — US disclosed
CN-120025297-A Mycobacterium membrane protein MmpL inhibitor, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-23 — — CN disclosed
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 — — WO disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 — — EP disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 — — EP disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 — — WO disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 — — 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG IDO1 3337/4885NOS1 2626/4885AXL 1495/4885
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NAPRT IDO1 1238/4885NOS1 1895/4885AXL 3259/4885
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK IDO1 3150/4885NOS1 1976/4885AXL 4473/4885
US-11447469-B2 Hetero ring-fused phenyl compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK IDO1 3150/4885NOS1 1976/4885AXL 4473/4885
US-20250230157-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A IDO1 2029/4885NOS1 498/4885AXL 275/4885

“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.

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