SCHEMBL12112225

SCHEMBL12112225

O=c1nc2c3ncn(Cc4ccccc4F)c3ncnc-2n1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.48
▸ PDE4B Q07343 6/20 0.48
▸ PDE4C Q08493 6/20 0.48
▸ PDE4D Q08499 6/20 0.48
▸ PDE5A O76074 3/20 0.48
▸ PDE1A P54750 3/20 0.48
▸ PDE1B Q01064 3/20 0.48
▸ PDE1C Q14123 3/20 0.48
▸ PDE3B Q13370 2/20 0.48
▸ PDE3A Q14432 2/20 0.48
▸ SLC29A1 Q99808 4/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL12112236 0.82 PIK3CD (0.47) HPGDTSHRADORA2AADORA1PIK3CD
SCHEMBL12112249 0.81 SLC29A1 (0.43) SLC29A1ADORA2AADORA1PIK3CDPI4KA
SCHEMBL12112239 0.81 MEN1 (0.41) ADORA2AMAPK1PIK3CDPI4KAPI4K2B
SCHEMBL12112208 0.81 MAPK1 (0.43) PDE1BSLC29A1TSHRADORA2AADORA1
SCHEMBL12112250 0.81 PIK3CD (0.37) ADORA2APIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL12112232 0.81 PIK3CD (0.39) ADORA2APIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL12112229 0.81 SLC29A1 (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL16123777 0.81 PIK3CD (0.41) HPGDTSHRADORA2AADORA1ALDH1A1
SCHEMBL13394115 0.81 PIK3CD (0.41) HPGDTSHRADORA2AADORA1ALDH1A1
SCHEMBL12112241 0.81 SLC29A1 (0.45) SLC29A1ADORA2APIK3CDPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-03 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
US-9322831-B2 DDX3 as a biomarker for cancer and methods related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-26 — — US disclosed
WO-2014149084-A2 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-25 — — WO disclosed
US-20130281440-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2013-10-24 — — 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-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
WO-2010039187-A2 FUSED DIIMIDAZODIAZEPINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-08 — — 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 (3 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-20160319366-A1 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO DDX3X, DDB1, DDX24 PDE4A 2061/4885PDE4B 2540/4885PDE4C 3220/4885
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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