SCHEMBL22916888

SCHEMBL22916888

PN1CCn2ccnc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
P2RX7 Q99572 1/20 0.35
VNN1 O95497 1/20 0.33
NAMPT P43490 1/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1D P25100 1/20 0.33
LRRK2 Q5S007 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL18123343 0.79 SCD (0.36) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL2664632 0.75 SCD (0.36) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL3747911 0.75 SCD (0.39) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL22273326 0.71 ATR (0.37) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL20985211 0.71 SCD (0.34) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL6369633 0.71 SCD (0.36) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL436995 0.71 P2RX7 (0.36) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL21410419 0.69 SCD (0.53) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL25043600 0.68 LMNA (0.35) SCDSCD5P2RX7VNN1LRRK2
SCHEMBL18843016 0.68 P2RX7 (0.34) SCDSCD5P2RX7VNN1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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 (2 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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 SCD 3227/4885SCD5 2691/4885P2RX7 4800/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 SCD 3227/4885SCD5 2691/4885P2RX7 4800/4885

“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.