SCHEMBL21646466

SCHEMBL21646466

CNc1ccn2cncc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
TBXAS1 P24557 1/20 0.40
EGFR P00533 2/20 0.35
NTRK1 P04629 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
FASN P49327 1/20 0.33
NR3C1 P04150 1/20 0.33
NAMPT P43490 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
IDO1 P14902 1/20 0.33
MAPT P10636 1/20 0.32
LYN P07948 2/20 0.30
BTK Q06187 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23055267 0.81 PRKCI (0.39) PRKCITBXAS1NTRK1BRD4CREBBP
SCHEMBL25124500 0.81 TBXAS1 (0.40) PRKCITBXAS1NTRK1BRD4CREBBP
SCHEMBL21646360 0.81 PRKCI (0.39) PRKCITBXAS1NTRK1BRD4CREBBP
SCHEMBL24629446 0.76 TBXAS1 (0.43) PRKCITBXAS1NTRK1FASNNR3C1
SCHEMBL21646359 0.73 TBXAS1 (0.40) TBXAS1EGFRBRD4CREBBPNR3C1
SCHEMBL31646996 0.71 LMNA (0.39) PRKCITBXAS1EGFRNTRK1NAMPT
SCHEMBL21355616 0.71 TBXAS1 (0.43) PRKCITBXAS1BRD4CREBBPNAMPT
SCHEMBL15246478 0.71 TBXAS1 (0.43) PRKCITBXAS1BRD4CREBBPNR3C1
SCHEMBL13931946 0.70 QPCT (0.43) PRKCITBXAS1EGFRBRD4CREBBP
SCHEMBL17561679 0.70 TBXAS1 (0.40) PRKCITBXAS1NTRK1BRD4CREBBP

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
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
WO-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 PRKCI 2534/4885TBXAS1 2785/4885EGFR 4765/4885

“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.