SCHEMBL3393886

SCHEMBL3393886

CC(C)c1n[nH]c2nc(N)nc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.37
GAA P10253 2/20 0.33
PTK2B Q14289 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL31714908 0.82 GAA (0.31) GAA
SCHEMBL22911122 0.77 CHUK (0.43) CHUK
SCHEMBL3391881 0.77 CHUK (0.40) CHUKSMN1; SMN2
SCHEMBL11617356 0.74 CHEK1 (0.40)
SCHEMBL4272037 0.73 CHUK (0.44) CHUK
SCHEMBL22494324 0.73 CHUK (0.40) CHUK
SCHEMBL3393991 0.72 CHUK (0.37) CHUKGAASMN1; SMN2
SCHEMBL887843 0.68 EGFR (0.37) CHUKEGFR
SCHEMBL3391685 0.68 CHUK (0.54) CHUKEGFRKDRADORA2AADORA1
SCHEMBL11443982 0.67 ADORA2A (0.37) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (2 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-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CHUK 280/4885GAA 1304/4885PTK2B 1752/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CHUK 280/4885GAA 1304/4885PTK2B 1752/4885

“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.