SCHEMBL17599288

SCHEMBL17599288

COc1ccc(Sc2nc(N)nc3c2ncn3C(C)OCP(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.38
CYP3A4 P08684 1/20 0.37
CDK5 Q00535 5/20 0.37
CDK5R1 Q15078 5/20 0.37
DHFR P00374 1/20 0.36
SLC29A1 Q99808 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK1 P06493 3/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
CCNB1 P14635 2/20 0.34
CCNE2 O96020 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL7131234 0.85 CYP3A4 (0.53) HPRT1CYP3A4SLC29A1
SCHEMBL20012357 0.85 CYP3A4 (0.53) HPRT1CYP3A4SLC29A1
SCHEMBL20012093 0.81 HPRT1 (0.45) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL19994279 0.81 HPRT1 (0.45) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL19994282 0.81 HPRT1 (0.45) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL17601915 0.80 CYP3A4 (0.43) HPRT1CYP3A4CDK5CDK5R1CDK1
SCHEMBL6664903 0.80 FGFR1 (0.50) HPRT1CYP3A4DHFRSLC29A1HSP90AA1
SCHEMBL2907738 0.79 HSP90AA1 (0.37) HPRT1CYP3A4DHFRSLC29A1MMP2
SCHEMBL385550 0.78 CYP3A4 (0.45) HPRT1CYP3A4CDK1CCNE1CDK2
SCHEMBL7128278 0.78 CYP3A4 (0.52) HPRT1CYP3A4SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998307-B1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF BEIJING SL PHARMACEUTICAL CO LTD (CN) 2018-10-31 EP disclosed
US-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2016-04-28 US disclosed
EP-2998307-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Beijing Meibeita Drug Res Co., Ltd (CN) 2016-03-23 EP 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 (1 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-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF P2RY1, SQLE, PHOSPHO1 HPRT1 1072/4885CYP3A4 792/4885CDK5 917/4885

“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.