SCHEMBL25820161

SCHEMBL25820161

CC(C)Cc1ccnc2ccc(N3CCNCC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
NCF1 P14598 5/20 0.45
ADRB2 P07550 2/20 0.43
OPRL1 P41146 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ADRB1 P08588 2/20 0.41
TGFBR1 P36897 2/20 0.40
ACVR1 Q04771 2/20 0.40
CDC7 O00311 1/20 0.39
PIM1 P11309 1/20 0.39
CDK9 P50750 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KHK P50053 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL25820104 0.88 IP6K1 (0.48) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820106 0.88 IP6K1 (0.45) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820121 0.87 MAP4K4 (0.49) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820105 0.85 CLK1 (0.44) TGFBR1ACVR1MEN1KMT2A
SCHEMBL25820120 0.84 MEN1 (0.38) HRH4ADRB2MEN1GLAGAA
SCHEMBL25820160 0.83 HRH4 (0.46) HRH4HTR2BACVR1MEN1GLA
SCHEMBL25820122 0.82 HRH4 (0.33) HRH4NCF1HTR2AHTR2CHTR2B
SCHEMBL25825845 0.81 MET (0.49) HRH4NCF1ADRB2ADRB1TGFBR1
SCHEMBL25821153 0.81 PRKDC (0.43) TGFBR1ACVR1MEN1KMT2A
SCHEMBL25820116 0.81 MEN1 (0.34) HRH4HTR2AHTR2CHTR2BMEN1

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 HRH4 2074/4885NCF1 1223/4885ADRB2 3606/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HRH4 2350/4885NCF1 1002/4885ADRB2 3631/4885

“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.