SCHEMBL31455655

SCHEMBL31455655

NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4cccnc4)nc32)cc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.83
AKT2 P31751 18/20 0.83
AKT3 Q9Y243 15/20 0.83
CYP2C9 P11712 4/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70

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
Hydrochloric Acid SCHEMBL31455810 0.99 AKT1 (0.84) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL27226402 0.92 AKT1 (0.74) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL30815051 0.92 AKT1 (0.74) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL27227112 0.91 AKT1 (0.70) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL30815155 0.91 AKT1 (0.70) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL27309931 0.91 AKT1 (0.70) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL2176395 0.91 AKT1 (1.00) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL25385228 0.90 AKT1 (0.86) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL30574960 0.90 AKT1 (0.86) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL29324409 0.87 AKT1 (0.82) AKT1AKT2AKT3CYP2C9

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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 AKT1 1/4885AKT2 3/4885AKT3 4/4885

“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.