SCHEMBL1377645

SCHEMBL1377645

CCCc1nc2nc(N)nc(N)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL3478592 0.85 CDK1 (0.50) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL28476418 0.80 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL2179785 0.78 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KB
SCHEMBL107915 0.78 PDPK1 (0.40)
SCHEMBL5507965 0.76 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBCDK1
SCHEMBL7063134 0.74 PDPK1 (0.37) CDK1CCNB1CCNA2CDK2
SCHEMBL667795 0.72 PNP (0.61)
SCHEMBL6888654 0.72 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KB
SCHEMBL2576515 0.72 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3453941 0.72 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449207-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-22 US disclosed
US-20180360859-A1 Acyclic Nucleoside Phosphonate Diesters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-20 US disclosed
US-10076532-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-18 US disclosed
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2013-11-28 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 US disclosed
EP-1628685-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2006-03-01 EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound GILEAD SCIENCES, INC. 2005-09-29 US disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 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 (11 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PI4KA 51/4885PI4K2B 112/4885PI4K2A 84/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PI4KA 51/4885PI4K2B 112/4885PI4K2A 84/4885
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PI4KA 51/4885PI4K2B 112/4885PI4K2A 84/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PI4KA 51/4885PI4K2B 112/4885PI4K2A 84/4885
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound EIF2AK2, PNP, NUDT1 PI4KA 27/4885PI4K2B 39/4885PI4K2A 34/4885
US-20180360859-A1 Acyclic Nucleoside Phosphonate Diesters NTPCR, PNP, TYMP PI4KA 167/4885PI4K2B 377/4885PI4K2A 305/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN PI4KA 32/4885PI4K2B 44/4885PI4K2A 45/4885
US-10449207-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP PI4KA 167/4885PI4K2B 377/4885PI4K2A 305/4885
US-10076532-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP PI4KA 167/4885PI4K2B 377/4885PI4K2A 305/4885
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP PI4KA 167/4885PI4K2B 377/4885PI4K2A 305/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN PI4KA 32/4885PI4K2B 44/4885PI4K2A 45/4885

“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.