SCHEMBL3393709

SCHEMBL3393709

COCOc1ccc(C)nc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.40
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 5/20 0.32
NPC1 O15118 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 3/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31

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
SCHEMBL27641257 0.87 S1PR4 (0.38) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL16230349 0.86 S1PR4 (0.53) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL3395611 0.84 KDM4E (0.52) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL3067223 0.82 KDM4E (0.42) S1PR4KDM4EALDH1A1RAB9ANPC1
SCHEMBL14034812 0.81 S1PR4 (0.42) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL20124609 0.78 S1PR4 (0.50) S1PR4KDM4EALDH1A1RAB9ANPC1
SCHEMBL29444437 0.78 S1PR4 (0.50) S1PR4KDM4EALDH1A1RAB9ANPC1
SCHEMBL4502335 0.76 MAPT (0.49) KDM4EALDH1A1TDP1RAB9ANPC1
SCHEMBL12037052 0.75 S1PR4 (0.53) S1PR4KDM4EALDH1A1RAB9ANPC1
SCHEMBL2890031 0.74 NPC1 (0.59) S1PR4ALDH1A1RAB9ANPC1SMN1; 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 6 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
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 S1PR4 4711/4885KDM4E 3577/4885ALDH1A1 827/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 S1PR4 4711/4885KDM4E 3577/4885ALDH1A1 827/4885

“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.