SCHEMBL4569220

SCHEMBL4569220

CC(C)c1ccnc2scnc12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PKLR P30613 1/20 0.31

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
SCHEMBL1009034 0.74 CCR1 (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL6124121 0.72
SCHEMBL18237976 0.72 ELANE (0.36)
SCHEMBL26237386 0.72 HSP90AA1 (0.30)
SCHEMBL6842158 0.71 CHEK1 (0.41)
SCHEMBL24422532 0.70 TLR8 (0.36)
SCHEMBL24174573 0.70 NOS3 (0.35) PI4KAPI4K2BPI4K2API4KB
SCHEMBL13586024 0.69 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KB
SCHEMBL15689524 0.69 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL20674652 0.69 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173083-A1 TETRAHYDROINDOLE DERIVATIVES AS EGFR AND/OR HER2 INHIBTORS USEFUL FOR THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-10874675-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-09-19 US disclosed
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-10329303-B2 Heterocyclic inhibitors of monocarboxylate transporter THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9944646-B2 Bicyclic azaheterocyclobenzylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-04-17 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130261101-A1 BICYCLIC AZAHETEROCYCLOBENZYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2013-10-03 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 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 (13 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PI4KA 183/4885PI4K2B 544/4885PI4K2A 609/4885
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 14/4885PI4K2B 32/4885PI4K2A 26/4885
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A3, SLC16A1, SLC16A7 PI4KA 1343/4885PI4K2B 1928/4885PI4K2A 2050/4885
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 14/4885PI4K2B 32/4885PI4K2A 26/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 14/4885PI4K2B 32/4885PI4K2A 26/4885
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 PI4KA 1910/4885PI4K2B 2612/4885PI4K2A 2560/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 14/4885PI4K2B 32/4885PI4K2A 26/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 PI4KA 1910/4885PI4K2B 2612/4885PI4K2A 2560/4885
US-10874675-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 PI4KA 1910/4885PI4K2B 2612/4885PI4K2A 2560/4885
US-10329303-B2 Heterocyclic inhibitors of monocarboxylate transporter SLC16A1, SLC16A3, SLC16A7 PI4KA 1338/4885PI4K2B 2164/4885PI4K2A 2283/4885
US-20130261101-A1 BICYCLIC AZAHETEROCYCLOBENZYLAMINES AS PI3K INHIBITORS PIK3CD, PIK3CA, PIK3CB PI4KA 10/4885PI4K2B 14/4885PI4K2A 20/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KA 14/4885PI4K2B 32/4885PI4K2A 26/4885
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 PI4KA 1910/4885PI4K2B 2612/4885PI4K2A 2560/4885

“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.