SCHEMBL31276231

SCHEMBL31276231

Cc1ncc(Cl)cc1C[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.53
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
POLB P06746 1/20 0.34
S1PR3 Q99500 1/20 0.34
CYP2C9 P11712 1/20 0.33
PTGER1 P34995 1/20 0.33
P2RY2 P41231 1/20 0.33
SLC7A5 Q01650 1/20 0.32
NTSR1 P30989 1/20 0.32
HCRTR1 O43613 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL31276539 0.89 AAK1 (0.52) AAK1MAPTNPSR1KDM4EMAPK1
SCHEMBL30461888 0.82 AAK1 (0.56) AAK1MAPTNPSR1KDM4EMAPK1
SCHEMBL25267930 0.82 AAK1 (0.56) AAK1MAPTNPSR1KDM4EMAPK1
SCHEMBL27285202 0.81 AAK1 (0.55) AAK1MAPTNPSR1KDM4EMAPK1
SCHEMBL27285205 0.81 AAK1 (0.49) AAK1MAPTNPSR1KDM4EMAPK1
SCHEMBL25318293 0.80 AAK1 (0.61) AAK1MAPTMEN1KMT2AITGA4
SCHEMBL5981702 0.78 AAK1 (0.61) AAK1MAPTNPSR1MEN1KMT2A
SCHEMBL5981707 0.78 AAK1 (0.61) AAK1MAPTNPSR1MEN1KMT2A
SCHEMBL23544360 0.78 AAK1 (0.58) AAK1MAPTTDP1ITGA4ITGB7
SCHEMBL25270221 0.77 AAK1 (0.55) AAK1MAPTNPSR1KDM4EMAPK1

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-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 AAK1 1355/4885MAPT 3955/4885NPSR1 4512/4885

“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.