SCHEMBL25820084

SCHEMBL25820084

CC(C)Cc1ccnc2cccc(C#N)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
PREP P48147 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
LRRK2 Q5S007 1/20 0.35
RORC P51449 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL25820132 0.80 ELANE (0.40) ALOX5APGABRA1GABRB2LOXL2
SCHEMBL25820073 0.78 PARP1 (0.38) ALOX5APGABRA1GABRB2LOXL2
SCHEMBL25822466 0.77 MEN1 (0.38) ALOX5APGABRA1GABRB2ALDH1A1HPGD
SCHEMBL6464808 0.72 LRRK2 (0.50) PREPALDH1A1LRRK2TDP1MAP2K1
SCHEMBL22554335 0.72 MAP2K1 (0.37) PREPALDH1A1HPGDKDM4EGAA
SCHEMBL26317702 0.72 RAF1 (0.45) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL2494065 0.72 LOXL2 (0.58) ALDH1A1KDM4EAAK1SMN1; SMN2CYP1A2
SCHEMBL2659054 0.71 GABRA1 (0.47) ALOX5APGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL9686635 0.69 GABRA1 (0.46) ALOX5APGABRA1GABRB2ALDH1A1HPGD
SCHEMBL14983825 0.69 GABRA1 (0.46) ALOX5APGABRA1GABRB2L3MBTL1RORC

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 ALOX5AP 2673/4885PREP 4227/4885GABRA1 3307/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ALOX5AP 3700/4885PREP 4612/4885GABRA1 3364/4885

“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.