SCHEMBL25820130

SCHEMBL25820130

CC(C)Cc1ccnc2ccc(N)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.38
NR4A2 P43354 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 5/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL25820095 0.82 HTR1A (0.51) KDM4EALDH1A1LOXL2HTTSMN1; SMN2
SCHEMBL16549305 0.81 PARP1 (0.45) KDM4EMAPTALDH1A1CASP1HSD17B10
SCHEMBL25820075 0.81 CCNC (0.42) PARP1TRPV1ROCK2
SCHEMBL25821117 0.79 CDK8 (0.38) LOXL2TRPV1EGFRROCK2MTNR1A
SCHEMBL25820094 0.78 SLC22A12 (0.42) LOXL2SLC22A12TRPV1ROCK2MTNR1A
SCHEMBL25820108 0.78 IP6K1 (0.43) KDM4EALDH1A1CASP1HSD17B10LOXL2
SCHEMBL25820137 0.78 HRH4 (0.48) KDM4EALDH1A1TRPV1MTNR1AMTNR1B
SCHEMBL2494065 0.78 LOXL2 (0.58) KDM4EMAPTALDH1A1LOXL2SMN1; SMN2
SCHEMBL25820092 0.77 GABRA1 (0.34) LOXL2TRPV1EGFRROCK2MTNR1A
SCHEMBL25820089 0.77 PIK3CA (0.51) LOXL2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KDM4E 4095/4885MAPT 3999/4885ALDH1A1 4541/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885MAPT 3976/4885ALDH1A1 3871/4885

“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.