SCHEMBL30200372

SCHEMBL30200372

O=C(Nc1ccnnc1)c1ccc2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.68
SMN1; SMN2 Q16637 11/20 0.68
NFKB1 P19838 6/20 0.68
NFKB2 Q00653 6/20 0.68
RELA Q04206 6/20 0.68
NPC1 O15118 12/20 0.58
TP53 P04637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
HDAC8 Q9BY41 1/20 0.56
MAPT P10636 6/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HTT P42858 1/20 0.54
POLB P06746 3/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL945400 0.83 RAB9A (0.73) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL20614446 0.82 ROCK2 (0.48) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1131467 0.82 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL28310352 0.78 RAB9A (0.79) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6037573 0.77 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8071379 0.77 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6037569 0.77 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7570608 0.77 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4534378 0.76 RAB9A (0.71) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL12258528 0.75 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 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 (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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA RAB9A 245/4885SMN1; SMN2 2820/4885NFKB1 1732/4885

“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.