Phosphoric Acid

Phosphoric Acid

SCHEMBL2954734

CNc1nc(-c2cccnc2)nc(SC)c1C(=O)Nc1ccc(OC)cc1.O=P(O)(O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 1/20 0.49
ATR Q13535 1/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46
ABCG2 Q9UNQ0 4/20 0.46
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 1/20 0.45
PSMD14 O00487 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTAFR P25105 1/20 0.43

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
SCHEMBL2956040 0.97 KMT2A (0.52) IRAK4KMT2APOLBATRMAPT
Hydrochloric Acid SCHEMBL2947061 0.96 KMT2A (0.51) IRAK4KMT2APOLBATRMAPT
Oxalic Acid SCHEMBL2954733 0.94 IRAK4 (0.49) IRAK4KMT2APOLBATRMAPT
SCHEMBL2952870 0.94 IRAK4 (0.48) IRAK4KMT2APOLBATRMAPT
SCHEMBL2953230 0.88 KMT2A (0.59) IRAK4KMT2APOLBATRMAPT
SCHEMBL2947104 0.86 IRAK4 (0.48) IRAK4KMT2APOLBATRMAPT
SCHEMBL2954540 0.86 KMT2A (0.50) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL3025810 0.84 NPC1 (0.54) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL2951651 0.84 NPC1 (0.54) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL2950504 0.82 MEN1 (0.50) KMT2APOLBMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US claimed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP claimed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US claimed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO claimed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
EP-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 US disclosed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 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 (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-20070072876-A1 Novel pyrimidine carboxamides UACA, SI, MYLK2 IRAK4 292/4885KMT2A 4280/4885POLB 972/4885

“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.