SCHEMBL679808

SCHEMBL679808

OC1CCc2c1ncnc2N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.42
▸ HTR2C P28335 7/20 0.41
▸ EPAS1 Q99814 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ABCC1 P33527 1/20 0.36

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 SCHEMBL192370 0.99 DRD2 (0.41) DRD2HTR2CEPAS1HTTTLR7
SCHEMBL15451607 0.78 ACHE (0.45) EPAS1
SCHEMBL4124358 0.72 HRH4 (0.64) DRD2HTR2CLMNAHRH4HRH3
SCHEMBL21919545 0.71 AKT1 (0.50) —
SCHEMBL13686448 0.71 HTR2C (0.41) DRD2HTR2CHTTTLR7HTR2A
SCHEMBL2799766 0.71 HTR2C (0.41) DRD2HTR2CHTTTLR7HTR2A
SCHEMBL3122777 0.71 AKT1 (0.50) —
SCHEMBL22533529 0.71 AKT1 (0.50) —
SCHEMBL30466992 0.71 AKT1 (0.50) —
Hydrochloric Acid SCHEMBL191587 0.70 AKT1 (0.49) —

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 — — US disclosed
EP-3617330-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS Genentech, Inc. (US) 2020-03-04 — — EP disclosed
EP-2959014-B1 METHODS AND COMPOSITIONS FOR DETECTING AND TREATING DRUG RESISTANT AKT MUTANT GENENTECH INC (US) 2019-11-13 — — EP disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 — — US disclosed
US-9994913-B2 Methods and compositions for detecting and treating drug resistant AKT mutant GENENTECH, INC. (US) 2018-06-12 — — US disclosed
US-9717730-B2 Combinations of AKT inhibitor compounds and chemotherapeutic agents, and methods of use GENENTECH, INC. (US) 2017-08-01 — — US disclosed
US-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2017-06-08 — — US disclosed
US-9610289-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2017-04-04 — — US disclosed
US-20170065588-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH INC (US) 2017-03-09 — — US disclosed
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — US disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 — — EP disclosed
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 — — EP disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — US disclosed
EP-2049501-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma Inc. (US) 2009-04-22 — — EP disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — US disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — WO disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — 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 (7 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-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR DRD2 3288/4885HTR2C 2436/4885EPAS1 3706/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 DRD2 4205/4885HTR2C 1017/4885EPAS1 576/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DRD2 4186/4885HTR2C 1003/4885EPAS1 486/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DRD2 4186/4885HTR2C 1003/4885EPAS1 486/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DRD2 4186/4885HTR2C 1003/4885EPAS1 486/4885
US-20170065588-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS TP53, TSG101, CD44 DRD2 4861/4885HTR2C 4473/4885EPAS1 1276/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DRD2 4186/4885HTR2C 1003/4885EPAS1 486/4885

“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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