SCHEMBL30718016

SCHEMBL30718016

c1cnc2cc(-c3cnc[nH]3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
IDO1 P14902 7/20 0.50
ASIC3 Q9UHC3 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGDS O60760 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
LTA4H P09960 1/20 0.44
TGFBR1 P36897 1/20 0.40

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
SCHEMBL30718022 0.80 CYP11B1 (0.64) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL991450 0.77 CYP11B1 (0.51) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL991449 0.77 QPCT (0.58) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL26265591 0.75 CYP11B1 (0.85) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL2458494 0.75 DYRK1A (0.50) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL17800997 0.74 IDO1 (0.75) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL2458769 0.73 RIPK1 (0.50) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL2457010 0.73 CYP11B1 (0.47) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL2462935 0.73 DYRK1A (0.49) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL8337311 0.73 NPC1 (0.52) POLBTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845745-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment Clavius Pharmaceuticals, LLC. (US) 2023-12-19 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-11845745-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment TGFB1, TGFBR1, TGFB2 CYP11B1 1086/4885CYP11B2 1006/4885IDO1 317/4885

“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.