SCHEMBL12112237

SCHEMBL12112237

CNc1ccccc1Cn1cnc2c3nc(=O)n(Cc4cccc(C)c4)c-3ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ PDE5A O76074 2/20 0.42
▸ PDE1A P54750 2/20 0.42
▸ PDE1B Q01064 2/20 0.42
▸ PDE3B Q13370 2/20 0.42
▸ PDE1C Q14123 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ PIK3CD O00329 6/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ YTHDC1 Q96MU7 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CTSL P07711 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12112243 0.92 PIK3CD (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL15214783 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13394063 0.91 PIK3CD (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL12112236 0.90 PIK3CD (0.47) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL16123777 0.88 PIK3CD (0.41) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL13394115 0.88 PIK3CD (0.41) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL15214193 0.87 SLC29A1 (0.46) PIK3CDADORA2AADORA1YTHDC1HPGD
SCHEMBL15214178 0.87 PIK3CD (0.40) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL15214785 0.83 PIK3CD (0.37) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13394072 0.82 ADORA2A (0.41) PIK3CDADORA2AADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — US disclosed
US-8518901-B2 Fused diimidazodiazepine compounds and methods of use and manufacture thereof THE JOHNS HOPKINS UNIVERSITY (US) 2013-08-27 — — US disclosed
US-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof HOSMANE, RAMACHANDRA S. 2011-11-10 — — 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-20110275588-A1 Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof IKZF3, AADAC, IKBKE PDE4A 1270/4885PDE4B 1208/4885PDE4C 2109/4885
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 PDE4A 2061/4885PDE4B 2540/4885PDE4C 3220/4885

“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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