SCHEMBL7015267

SCHEMBL7015267

N#Cc1cccc2ccncc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
NCOA3 Q9Y6Q9 1/20 0.57
TNF P01375 2/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CDK5 Q00535 3/20 0.46
DYRK1A Q13627 3/20 0.46
CDK5R1 Q15078 3/20 0.46
CLK1 P49759 2/20 0.46
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
HASPIN Q8TF76 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL30369965 0.85 HTT (0.55) HTTNCOA3TNFCA1CA2
SCHEMBL1202005 0.85 HTT (1.00) HTTNCOA3TNFCA1CA2
SCHEMBL28304074 0.83 HTT (0.96) HTTNCOA3TNFCA1CA2
SCHEMBL31227884 0.81 HTT (0.59) HTTNCOA3TNFCA1CA2
SCHEMBL2006516 0.81 TNF (0.49) HTTNCOA3TNFCA1CA2
SCHEMBL30183020 0.78 HTT (0.59) HTTNCOA3TNFCDK5DYRK1A
Hydrochloric Acid SCHEMBL31354899 0.77 HTT (0.58) HTTNCOA3TNFCDK5DYRK1A
SCHEMBL30210936 0.76 NCOA3 (0.51) HTTNCOA3TNFCDK5DYRK1A
SCHEMBL59702 0.74 CA1 (0.69) HTTCA1CA2DYRK1ACLK1
SCHEMBL10399061 0.74 MELK (0.49) HTTNCOA3TNFALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
WO-2025080592-A1 COMBINATION COMPRISING A KRAS G12D INHIBITOR AND AN EGFR INHIBITOR FOR USE IN THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2025-04-17 WO claimed
WO-2025080593-A1 COMBINATION THERAPY USING A KRAS G12D INHIBITOR AND PD-1 INHIBITOR OR PD-L1 INHIBITOR INCYTE CORPORATION (US) 2025-04-17 WO claimed
CN-118632696-A Combination therapy comprising FGFR inhibitor and KRAS inhibitor 因赛特公司 2024-09-10 CN claimed
EP-4415824-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-08-21 EP claimed
CN-118525017-A Quinoline compounds as KRAS inhibitors 因赛特公司 2024-08-20 CN claimed
US-20230226040-A1 COMBINATION THERAPY COMPRISING AN FGFR INHIBITOR AND A KRAS INHIBITOR INCYTE CORPORATION 2023-07-20 US claimed
WO-2023064857-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-04-20 WO claimed
US-20250368641-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORP (US) 2025-12-04 US disclosed
US-12378243-B2 Quinoline compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2025-08-05 US disclosed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN disclosed
WO-2025080593-A1 COMBINATION THERAPY USING A KRAS G12D INHIBITOR AND PD-1 INHIBITOR OR PD-L1 INHIBITOR INCYTE CORPORATION (US) 2025-04-17 WO disclosed
WO-2025080592-A1 COMBINATION COMPRISING A KRAS G12D INHIBITOR AND AN EGFR INHIBITOR FOR USE IN THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2025-04-17 WO disclosed
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
CN-1871008-A Triazolo-pyridazine compounds and derivatives thereof useful in the treatment of neuropathic pain MERCK & CO INC (US) 2006-11-29 CN disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
US-6534510-B2 Anticoagulants MERCK & CO., INC. 2003-03-18 US disclosed
EP-1267876-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
US-20020006923-A1 Thrombin inhibitors MERCK & CO., INC. 2002-01-17 US disclosed
WO-2001070229-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-09-27 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-12378243-B2 Quinoline compounds as inhibitors of KRAS KRAS, NRAS, HRAS HTT 2237/4885NCOA3 860/4885TNF 4685/4885
US-20020006923-A1 Thrombin inhibitors F2, F11, F12 HTT 473/4885NCOA3 3569/4885TNF 1945/4885
US-20230226040-A1 COMBINATION THERAPY COMPRISING AN FGFR INHIBITOR AND A KRAS INHIBITOR KRAS, FGFR2, FGFR3 HTT 3974/4885NCOA3 480/4885TNF 4699/4885
US-20250368641-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS HTT 2237/4885NCOA3 860/4885TNF 4685/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD HTT 2553/4885NCOA3 1080/4885TNF 2020/4885

“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.