SCHEMBL2797263

SCHEMBL2797263

c1cnc2ncnc(N3CCNCC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.55
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ EPHX2 P34913 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PLD1 Q13393 1/20 0.46

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
SCHEMBL31740435 0.84 HPGD (0.50) KDM4ECYP1A2HTT
SCHEMBL30456080 0.81 ALDH1A1 (0.54) HTR2CKDM4ECYP1A2CYP3A4
SCHEMBL25269396 0.81 ALDH1A1 (0.54) HTR2CKDM4ECYP1A2CYP3A4
SCHEMBL31705145 0.81 PTK2 (0.63) KDM4ECYP1A2
SCHEMBL25719397 0.81 PTK2 (0.63) KDM4ECYP1A2
SCHEMBL29880381 0.80 KIT (0.55) HTT
SCHEMBL29936658 0.78 PTK2 (0.67) HTR2CKDM4ECYP1A2CYP3A4HTT
SCHEMBL1029331 0.78 PTK2 (0.67) HTR2CKDM4ECYP1A2CYP3A4HTT
SCHEMBL29813234 0.76 HTR2A (0.46) HTR2CHTT
Hydrochloric Acid SCHEMBL2797449 0.76 PTK2 (0.65) HTR2CKDM4ECYP1A2CYP3A4HTT

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-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 — — US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 — — 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 (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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 HTR2C 2901/4885KDM4E 2590/4885CYP1A2 3519/4885

“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.

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