SCHEMBL21593091

SCHEMBL21593091

C[C@@H](Nc1cc(Cl)ncn1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.58
PRCP P42785 1/20 0.51
MAP4K4 O95819 1/20 0.48
GALR3 O60755 1/20 0.48
NR2F2 P24468 1/20 0.48
NUDT1 P36639 1/20 0.47
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
PLK1 P53350 4/20 0.45
AR P10275 1/20 0.45
CAMK2D Q13557 1/20 0.44
EGFR P00533 2/20 0.44
KRAS P01116 1/20 0.44
SOS1 Q07889 1/20 0.44

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
SCHEMBL4375461 1.00 HTR7 (0.58) HTR7PRCPMAP4K4GALR3NR2F2
SCHEMBL4375466 1.00 HTR7 (0.58) HTR7PRCPMAP4K4GALR3NR2F2
SCHEMBL17560828 0.88 HTR7 (0.70) HTR7PRCPMAP4K4GALR3NR2F2
SCHEMBL20575147 0.84 HTR7 (0.53) HTR7PRCPJAK2JAK3EGFR
SCHEMBL20575148 0.84 HTR7 (0.53) HTR7PRCPJAK2JAK3EGFR
SCHEMBL23780468 0.84 PRCP (0.45) HTR7PRCPJAK2JAK3PLK1
SCHEMBL10964333 0.82 HTR7 (0.59) HTR7PRCPMAP4K4GALR3NR2F2
SCHEMBL23291891 0.81 EGFR (0.45) HTR7PRCPJAK2JAK3PLK1
SCHEMBL30047569 0.81 HTR7 (0.58) HTR7PRCPMAP4K4GALR3NR2F2
SCHEMBL7854982 0.78 HTR7 (0.56) HTR7PRCPMAP4K4GALR3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 EP disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA HTR7 1771/4885PRCP 2233/4885MAP4K4 530/4885

“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.