SCHEMBL23905597

SCHEMBL23905597

Cc1c2nc(-c3ccc(C(=O)O)cc3)c(C(C)C)c(-c3ccc(F)cc3)c2cc2cn[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 2/20 0.40
MAPK6 Q16659 2/20 0.40
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
MAPKAPK3 Q16644 1/20 0.35
TGFBR1 P36897 2/20 0.35
MAPK13 O15264 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TNIK Q9UKE5 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
METAP2 P50579 1/20 0.34
PTGFR P43088 1/20 0.34
ADORA2A P29274 1/20 0.34
DHODH Q02127 4/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL23906431 0.93 RXRA (0.37) MAPK1MAP2K4MAPK6MAPKAPK3METAP2
SCHEMBL30251707 0.91 MAP2K4 (0.42) MAPK1MAP2K4MAPK6MAPKAPK3ADORA2A
SCHEMBL23884715 0.91 MAP2K4 (0.42) MAPK1MAP2K4MAPK6MAPKAPK3ADORA2A
SCHEMBL23884632 0.91 DHODH (0.35) MAPK1MAP2K4MAPK6MAPKAPK3METAP2
SCHEMBL30251754 0.91 DHODH (0.35) MAPK1MAP2K4MAPK6MAPKAPK3METAP2
SCHEMBL23906219 0.91 MAP2K4 (0.38) MAPK1MAP2K4MAPK6CSNK2A2CSNK2B
SCHEMBL30251725 0.88 DHODH (0.35) ADORA2ADHODH
SCHEMBL23884500 0.88 DHODH (0.35) ADORA2ADHODH
SCHEMBL23905592 0.87 ROCK2 (0.38)
SCHEMBL23906223 0.87 MAP2K4 (0.36) MAPK1MAP2K4MAPK6MAPKAPK3TGFBR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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 (1 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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 MAPK1 1660/4885MAP2K4 4101/4885MAPK6 4256/4885

“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.