SCHEMBL5039983

SCHEMBL5039983

Nc1ncnc2c1ncn2Sc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 11/20 0.56
▸ PI4K2B Q8TCG2 11/20 0.56
▸ PI4K2A Q9BTU6 11/20 0.56
▸ PI4KB Q9UBF8 11/20 0.56
▸ EGFR P00533 3/20 0.56
▸ ADORA2A P29274 7/20 0.52
▸ ADORA1 P30542 4/20 0.47
▸ ADORA2B P29275 2/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL258584 0.75 ADORA2A (0.59) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL27774795 0.74 HSP90AA1 (0.52) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL16487121 0.73 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5146335 0.72 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL27774840 0.72 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL27469939 0.70 CYP1A2 (0.41) EGFRALDH1A1
SCHEMBL134910 0.70 EGFR (0.61) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL9373702 0.70 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL6699970 0.69 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBEGFR
9-Benzyl-9H-Adenine SCHEMBL104932 0.69 ADORA2A (1.00) PI4KAPI4K2BPI4K2API4KBEGFR

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-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 — — EP disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 — — WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 — — 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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P PI4KA 2175/4885PI4K2B 3080/4885PI4K2A 2945/4885

“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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