Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.54 |
| ▸ | DRD2 | P14416 | 3/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11288065 | 0.98 | SIGMAR1 (0.52) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL2633399 | 0.91 | SIGMAR1 (0.51) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL2633460 | 0.84 | SIGMAR1 (0.42) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL2743253 | 0.83 | KMT2A (0.49) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL11263972 | 0.82 | KMT2A (0.48) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL864155 | 0.82 | SIGMAR1 (0.79) | SIGMAR1DRD2HTR2AHTR2CCYP2D6 | |
| SCHEMBL1789621 | 0.82 | DRD2 (0.56) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL19852295 | 0.81 | SIGMAR1 (0.50) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL11193368 | 0.81 | SIGMAR1 (0.77) | SIGMAR1DRD2HTR2AHTR2CCYP2D6 | |
| Hydrochloric Acid SCHEMBL11543251 | 0.81 | SIGMAR1 (0.51) | SIGMAR1DRD2HTR2AADRA1DADRA1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11033547-B2 | Carboxamide-pyrimidine derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-06-15 | — | — | US | disclosed |
| US-20200281926-A1 | CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-09-10 | — | — | US | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-8158628-B2 | Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals | GRUENENTHAL GMBH (DE) | 2012-04-17 | — | — | US | disclosed |
| US-20100234340-A1 | Substituted Spiroamide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-20100234387-A1 | Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals | GRUENETHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| US-20100152158-A1 | Substituted Disulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2010-06-17 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100152158-A1 | Substituted Disulfonamide Compounds | BDKRB1, BDKRB2, BRS3 | SIGMAR1 288/4885DRD2 147/4885HTR2A 774/4885 |
| US-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | SIGMAR1 222/4885DRD2 36/4885HTR2A 85/4885 |
| US-20100234387-A1 | Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals | BDKRB1, BDKRB2, KCNB1 | SIGMAR1 166/4885DRD2 834/4885HTR2A 239/4885 |
| US-11033547-B2 | Carboxamide-pyrimidine derivatives as SHP2 antagonists | PTPN5, PTPN2, PTPN1 | SIGMAR1 4194/4885DRD2 4845/4885HTR2A 3399/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | SIGMAR1 1220/4885DRD2 672/4885HTR2A 256/4885 |
| US-20100234340-A1 | Substituted Spiroamide Compounds | BDKRB1, BDKRB2, AVPR1B | SIGMAR1 398/4885DRD2 1063/4885HTR2A 625/4885 |
| US-20200281926-A1 | CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS | PTPN5, PTPN2, PTPN1 | SIGMAR1 4194/4885DRD2 4845/4885HTR2A 3399/4885 |
“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.