SCHEMBL97290

SCHEMBL97290

Nc1nc2c(ncn2COCCCC=O)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 8/20 0.72
▸ HBB P68871 2/20 0.72
▸ BLM P54132 2/20 0.72
▸ USP2 O75604 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ EDNRA P25101 1/20 0.72
▸ HTR2A P28223 1/20 0.72
▸ RECQL P46063 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ HPRT1 P00492 6/20 0.69
▸ POLG P54098 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MAPK1 P28482 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ VCP P55072 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL29370760 0.88 PNP (0.87) PNPHBBBLMUSP2TSHR
SCHEMBL12786355 0.86 PNP (0.76) PNPHBBBLMUSP2TSHR
SCHEMBL8380760 0.86 PNP (0.88) PNPHBBBLMUSP2TSHR
SCHEMBL9662569 0.85 PNP (0.71) PNPHBBBLMUSP2TSHR
SCHEMBL8842855 0.85 PNP (0.74) PNPHBBBLMUSP2TSHR
Water SCHEMBL9663155 0.84 PNP (0.70) PNPHBBBLMUSP2TSHR
SCHEMBL9662537 0.84 TK1 (0.70) PNPHPRT1TK1
Acyclovir SCHEMBL3664893 0.84 PNP (1.00) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL3175 0.84 PNP (1.00) PNPHBBBLMUSP2TSHR
SCHEMBL572050 0.84 PNP (0.81) PNPHBBBLMUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239279-A1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA (US) 2017-08-24 — — US disclosed
US-9649321-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-16 — — US disclosed
US-20160067268-A1 PHOSPHONATE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 — — US disclosed
US-9206208-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-08 — — US disclosed
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 — — US disclosed
US-20150051174-A1 Phosphonate Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 — — US disclosed
US-8889658-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 — — US disclosed
US-20140045794-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 — — US disclosed
US-20130072458-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. (US) 2013-03-21 — — US disclosed
US-8309565-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-13 — — US disclosed
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors CHIMERIX, INC. (US) 2012-06-28 — — US disclosed
US-20120058975-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 — — 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 (8 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-20150051174-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA PNP 74/4885HBB 4347/4885BLM 3431/4885
US-20140045794-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA PNP 74/4885HBB 4347/4885BLM 3431/4885
US-20130072458-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP PNP 727/4885HBB 3047/4885BLM 2664/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA PNP 74/4885HBB 4347/4885BLM 3431/4885
US-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA PNP 74/4885HBB 4347/4885BLM 3431/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA PNP 74/4885HBB 4347/4885BLM 3431/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP PNP 727/4885HBB 3047/4885BLM 2664/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 PNP 1806/4885HBB 4448/4885BLM 2097/4885

“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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