SCHEMBL22875448

SCHEMBL22875448

CCCCCCCCCCCCC(=O)O[C@H]1[C@@H](OC(=O)C(C)(C)C)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(OCCCCCCCCCC)OCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.49
▸ P2RX4 Q99571 2/20 0.49
▸ P2RX2 Q9UBL9 2/20 0.49
▸ P2RX1 P51575 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ DNPH1 O43598 1/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ TRPM2 O94759 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46

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
SCHEMBL22875603 0.89 P2RY1 (0.55) P2RX3P2RX4P2RX2P2RX1DNPH1
SCHEMBL22875410 0.89 EGFR (0.51) EHMT1RXFP1
SCHEMBL22875450 0.89 EGFR (0.51) EHMT1RXFP1
SCHEMBL22875579 0.80 POLB (0.49) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL22875605 0.80 P2RY1 (0.70) P2RX3P2RX4P2RX2P2RX1DNPH1
SCHEMBL18340532 0.80 DNPH1 (0.68) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL22875576 0.77 EHMT1 (0.60) EHMT1RXFP1
SCHEMBL22875787 0.77 EHMT1 (0.60) EHMT1RXFP1
SCHEMBL11682736 0.76 P2RX3 (0.49) P2RX3P2RX4P2RX2P2RX1P2RX7
SCHEMBL22875571 0.76 EGFR (0.46) EHMT1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210007999-A1 NANOPARTICLE COMPOSITIONS JANUARY THERAPEUTICS, INC. 2021-01-14 — — 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 (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-20210007999-A1 NANOPARTICLE COMPOSITIONS PNP, NTPCR, TYMP P2RX3 717/4885P2RX4 941/4885P2RX2 1095/4885

“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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