SCHEMBL21856857

SCHEMBL21856857

Clc1cccc(Nc2cc3cn[nH]c3cc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NOS1 P29475 2/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ EGFR P00533 4/20 0.45
▸ FADS1 O60427 4/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ ERBB2 P04626 2/20 0.43
▸ PTK6 Q13882 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GRM4 Q14833 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ PRKCA P17252 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PDGFRA P16234 1/20 0.41

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
SCHEMBL30177058 0.80 MAOB (0.49) NOS1DYRK1A
SCHEMBL22655752 0.80 MAOB (0.49) NOS1DYRK1A
SCHEMBL22768248 0.77 P2RX7 (0.41) MAPTALDH1A1EGFRGAAGRM4
SCHEMBL30176980 0.77 CDC7 (0.53) ALDH1A1NOS1DYRK1A
SCHEMBL21856670 0.77 CDC7 (0.53) ALDH1A1NOS1DYRK1A
SCHEMBL26321249 0.77 NOS1 (0.41) ALDH1A1NOS1DYRK1AEGFR
SCHEMBL21901335 0.77 MAPT (0.45) MAPTALDH1A1THRBHTTNOS1
SCHEMBL22768570 0.74 AXL (0.51) IGF1RGRM4
SCHEMBL21856798 0.71 CDC7 (0.53) ALDH1A1NOS1DYRK1A
SCHEMBL15288335 0.68 AXL (0.51) MAPTALDH1A1HTTNOS1DYRK1A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 — — US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 — — US disclosed
US-11623924-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-11 — — US disclosed
EP-3860712-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2021-08-11 — — EP disclosed
CN-113164761-A Modulators of alpha-1 antitrypsin 弗特克斯药品有限公司 2021-07-23 — — CN disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 — — US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 — — WO disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 — — 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 (3 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-11623924-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINA3, SERPINB1 MAPT 1912/4885ALDH1A1 664/4885THRB 905/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 MAPT 1912/4885ALDH1A1 664/4885THRB 905/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 MAPT 1912/4885ALDH1A1 664/4885THRB 905/4885

“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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