SCHEMBL25322977

SCHEMBL25322977

Oc1cc(C2CC2)nc2c1cnn2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 2/20 0.46
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PKM P14618 3/20 0.41
RECQL P46063 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL29514428 0.85 ALDH1A1 (0.46) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL26661619 0.85 ALDH1A1 (0.46) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL1695446 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL2786622 0.72 ALDH1A1 (0.50) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL8138621 0.72 MAPT (0.55) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL25324864 0.71 CSNK1D (0.45) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL31194508 0.70 ALDH1A1 (0.54) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL2786472 0.70 ALDH1A1 (0.54) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL6479282 0.69 POLB (0.64) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL20118691 0.68 HSP90AA1 (0.62) ALDH1A1HPGDMAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-4214199-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
CN-116490503-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-07-25 CN disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 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-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 ALDH1A1 1600/4885HPGD 3083/4885MAPT 364/4885

“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.