SCHEMBL5804174

SCHEMBL5804174

Clc1ccc2oc(Nc3ccc(Br)cc3)nc2c1.S=C=Nc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
FBP1 P09467 2/20 0.43
RAF1 P04049 2/20 0.43
BRAF P15056 2/20 0.43
KDR P35968 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TP53 P04637 1/20 0.39
IL6 P05231 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL3814734 0.87 KCNH2 (0.53) KCNH2MEN1GAAKMT2AFBP1
SCHEMBL11816479 0.77 CSNK1D (0.46) MEN1GAAKMT2AIL6STAT3
SCHEMBL25248374 0.74 IL6 (0.61) KCNH2MEN1GAAKMT2AFBP1
SCHEMBL14268619 0.74 FBP1 (0.62) KCNH2MEN1GAAKMT2AFBP1
SCHEMBL3474865 0.74 GAA (0.66) KCNH2MEN1GAAKMT2AFBP1
SCHEMBL2894009 0.72 HDAC6 (0.51) MEN1GAAKMT2ARAF1BRAF
SCHEMBL1748093 0.72 MAPT (0.61) MEN1KMT2ARAF1BRAFHDAC6
SCHEMBL12095337 0.72 FBP1 (0.54) KCNH2MEN1GAAKMT2AFBP1
SCHEMBL29862435 0.71 IL6 (0.72) KCNH2MEN1GAAKMT2AFBP1
SCHEMBL12095512 0.71 IL6 (0.72) KCNH2MEN1GAAKMT2AFBP1

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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 (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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 KCNH2 302/4885MEN1 2274/4885GAA 938/4885

“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.