SCHEMBL16367960

SCHEMBL16367960

Cc1nc2c(ncn2[C@@H]2O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 6/20 0.43
▸ KRAS P01116 2/20 0.43
▸ IMPDH1 P20839 2/20 0.41
▸ POLG P54098 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ P2RX3 P56373 2/20 0.40
▸ FUT5 Q11128 1/20 0.39
▸ P2RY1 P47900 3/20 0.39
▸ P2RY2 P41231 2/20 0.39
▸ PNP P00491 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ P2RY11 Q96G91 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ RNASEL Q05823 1/20 0.39
▸ ADORA3 P0DMS8 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
SCHEMBL15070329 0.93 IMPDH2 (0.42) IMPDH2KRASIMPDH1POLGTAS1R3
SCHEMBL15070320 0.93 IMPDH2 (0.42) IMPDH2KRASIMPDH1POLGTAS1R3
SCHEMBL17358530 0.93 IMPDH2 (0.44) IMPDH2KRASIMPDH1POLGTAS1R3
SCHEMBL16375330 0.92 POLG (0.44) IMPDH2KRASIMPDH1POLGTAS1R3
SCHEMBL19986613 0.91 KRAS (0.53) KRASPOLGTGM2FUT5P2RY2
SCHEMBL16368336 0.91 KRAS (0.53) KRASPOLGTGM2FUT5P2RY2
SCHEMBL16367987 0.89 IMPDH2 (0.39) IMPDH2KRASIMPDH1POLGTAS1R3
SCHEMBL16144364 0.88 IMPDH2 (0.43) IMPDH2KRASIMPDH1POLGTAS1R3
SCHEMBL15070388 0.88 IMPDH2 (0.45) IMPDH2IMPDH1POLGTAS1R3TAS1R1
SCHEMBL16368119 0.86 P2RX3 (0.55) KRASP2RX3P2RY1P2RY2P2RX1

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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 — — US disclosed
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-02-15 — — US disclosed
US-9862743-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-01-09 — — US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP IMPDH2 99/4885KRAS 2764/4885IMPDH1 69/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B IMPDH2 119/4885KRAS 1382/4885IMPDH1 84/4885
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 IMPDH2 110/4885KRAS 2847/4885IMPDH1 76/4885
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP IMPDH2 99/4885KRAS 2764/4885IMPDH1 69/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B IMPDH2 78/4885KRAS 2390/4885IMPDH1 52/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 IMPDH2 110/4885KRAS 2847/4885IMPDH1 76/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B IMPDH2 78/4885KRAS 2390/4885IMPDH1 52/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B IMPDH2 119/4885KRAS 1382/4885IMPDH1 84/4885

“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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