Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 18/20 | 0.95 |
| ▸ | BCR known ✓ | P11274 | 14/20 | 0.95 |
| ▸ | PDGFRB known ✓ | P09619 | 3/20 | 0.75 |
| ▸ | BRAF known ✓ | P15056 | 3/20 | 0.75 |
| ▸ | KIT known ✓ | P10721 | 4/20 | 0.71 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.65 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.64 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.64 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.64 |
| ▸ | LYN | P07948 | 8/20 | 0.95 |
| ▸ | LCK | P06239 | 2/20 | 0.75 |
| ▸ | FYN | P06241 | 2/20 | 0.75 |
| ▸ | NQO2 | P16083 | 2/20 | 0.75 |
| ▸ | ABL2 | P42684 | 2/20 | 0.75 |
| ▸ | FRK | P42685 | 2/20 | 0.75 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.75 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.75 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.75 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.75 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.75 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3561413 | 0.97 | ABL1 (1.00) | ABL1BCRLYNPDGFRBBRAF | |
| Hydrochloric Acid SCHEMBL3565463 | 0.97 | ABL1 (0.99) | ABL1BCRLYNPDGFRBBRAF | |
| SCHEMBL3562382 | 0.92 | ABL1 (0.90) | ABL1BCRLYNPDGFRBBRAF | |
| SCHEMBL3561756 | 0.92 | ABL1 (0.90) | ABL1BCRLYNPDGFRBBRAF | |
| SCHEMBL3566953 | 0.92 | ABL1 (0.90) | ABL1BCRLYNPDGFRBBRAF | |
| Hydrochloric Acid SCHEMBL3661321 | 0.91 | ABL1 (0.89) | ABL1BCRLYNPDGFRBBRAF | |
| Hydrochloric Acid SCHEMBL3558323 | 0.91 | ABL1 (0.89) | ABL1BCRLYNPDGFRBBRAF | |
| SCHEMBL3560947 | 0.91 | ABL1 (1.00) | ABL1BCRLYNPDGFRBBRAF | |
| Hydrochloric Acid SCHEMBL3569831 | 0.91 | ABL1 (0.88) | ABL1BCRLYNPDGFRBBRAF | |
| SCHEMBL3560129 | 0.90 | ABL1 (0.86) | ABL1BCRLYNPDGFRBBRAF |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1702917-B1 | AMIDE DERIVATIVE AND MEDICINE | NIPPON SHINYAKU CO LTD (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-7728131-B2 | 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia | NIPPON SHINYAKU CO., LTD. (JP) | 2010-06-01 | — | — | US | disclosed |
| EP-1533304-B1 | AMIDE DERIVATIVE | NIPPON SHINYAKU CO LTD (JP) | 2009-11-04 | — | — | EP | disclosed |
| US-7494997-B2 | Amide derivative | NIPPON SHINYAKU CO., LTD. (JP) | 2009-02-24 | — | — | US | disclosed |
| US-20080293940-A1 | Amide Derivative and Medicine | NIPPON SHINYAKU CO., LTD. (JP) | 2008-11-27 | — | — | US | disclosed |
| EP-1702917-A1 | AMIDE DERIVATIVE AND MEDICINE | Nippon Shinyaku Co., Ltd. (JP) | 2006-09-20 | — | — | EP | disclosed |
| US-20060014742-A1 | Amide derivative | NIPPON SHINYAKU CO., LTD. (JP) | 2006-01-19 | — | — | US | disclosed |
| EP-1533304-A1 | AMIDE DERIVATIVE | Nippon Shinyaku Co., Ltd. (JP) | 2005-05-25 | — | — | EP | 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 (2 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060014742-A1 | Amide derivative | ABL1, ABL2, BCR | ABL1 1/4885BCR 3/4885PDGFRB 14/4885 |
| US-20080293940-A1 | Amide Derivative and Medicine | ABL2, ABL1, BCR | ABL1 2/4885BCR 3/4885PDGFRB 31/4885 |
“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.