SCHEMBL3391685

SCHEMBL3391685

CC(C)c1c[nH]c2nc(N)nc(Cl)c12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHUK O15111 6/20 0.54
DPP4 P27487 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
IKBKB O14920 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
BRAF P15056 1/20 0.33
TNNI3K Q59H18 1/20 0.33

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
SCHEMBL14197880 0.80 CHUK (0.38) CHUKIRAK4IKBKB
SCHEMBL1738453 0.77 CHUK (0.58) CHUKDPP4IRAK4IKBKB
SCHEMBL13539637 0.76 CHUK (0.35) CHUKIRAK4
SCHEMBL3797321 0.74 CHUK (0.58) CHUKDPP4IKBKB
SCHEMBL3391755 0.72 DYRK1A (0.42)
SCHEMBL17394765 0.70 CHUK (0.54) CHUKDPP4IRAK4IKBKBADORA2A
SCHEMBL3393886 0.68 CHUK (0.37) CHUKADORA2AADORA1EGFRKDR
SCHEMBL10198718 0.67 IRAK4 (0.48) IRAK4ADORA2AADORA1BRAFTNNI3K
SCHEMBL29426211 0.65 POLB (0.42) CHUKDPP4ADORA2AADORA1
SCHEMBL1427681 0.65 P2RX3 (0.44)

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 7 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-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 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 (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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CHUK 389/4885DPP4 3877/4885IRAK4 3378/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CHUK 389/4885DPP4 3877/4885IRAK4 3378/4885

“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.