SCHEMBL30711554

SCHEMBL30711554

C(=Cc1nccc2ccncc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.52
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IGF1R P08069 1/20 0.44
CDK2 P24941 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TNF P01375 1/20 0.44
GRM4 Q14833 5/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL29578079 0.84 S100A4 (0.69) S100A4MEN1KMT2ARAB9AKDM4E
SCHEMBL3170396 0.84 S100A4 (0.69) S100A4MEN1KMT2ARAB9AKDM4E
SCHEMBL3170397 0.84 S100A4 (0.69) S100A4MEN1KMT2ARAB9AKDM4E
SCHEMBL3177553 0.79 S100A4 (0.56) S100A4CYP11B1CYP11B2MEN1KMT2A
SCHEMBL3177548 0.79 S100A4 (0.56) S100A4CYP11B1CYP11B2MEN1KMT2A
SCHEMBL3181304 0.76 S100A4 (0.49) S100A4MEN1KMT2ARAB9AKDM4E
SCHEMBL3181300 0.76 S100A4 (0.49) S100A4MEN1KMT2ARAB9AKDM4E
Heptane SCHEMBL27671681 0.74 S100A4 (0.60) S100A4MEN1KMT2ARAB9AKDM4E
SCHEMBL57902 0.73 MEN1 (0.56) CYP11B1CYP11B2MEN1KMT2ARAB9A
SCHEMBL57903 0.73 MEN1 (0.56) CYP11B1CYP11B2MEN1KMT2ARAB9A

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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 S100A4 3722/4885CYP11B1 3991/4885CYP11B2 3694/4885

“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.