SCHEMBL411742

SCHEMBL411742

Cc1cccc(-c2nc3ccc(Br)cn3c2-c2ccnc(N)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.54
PIK3CD O00329 1/20 0.52
PIK3R1 P27986 1/20 0.52
CDK4 P11802 1/20 0.48
CDK2 P24941 1/20 0.48
HDAC1 Q13547 1/20 0.40
TGFBR1 P36897 7/20 0.39
PRNP P04156 1/20 0.37
CSNK1E P49674 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL414090 0.89 MAP3K14 (0.70) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL415015 0.87 MAP3K14 (0.71) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL415626 0.87 MAP3K14 (0.54) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL414562 0.86 MAPK14 (0.41) MAP3K14PIK3CDPIK3R1CDK2HDAC1
SCHEMBL414264 0.84 MAP3K14 (0.51) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL413611 0.84 MAP3K14 (0.51) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL415146 0.83 MAP3K14 (0.50) MAP3K14PIK3CDPIK3R1CDK4CDK2
Hydroxyamine SCHEMBL5265983 0.83 MAP3K14 (0.50) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL412000 0.83 MAP3K14 (0.50) MAP3K14PIK3CDPIK3R1CDK4CDK2
SCHEMBL412361 0.83 CDK2 (0.71) MAP3K14PIK3CDPIK3R1CDK4CDK2

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
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US claimed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 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-20060135517-A1 Imidazolopyridines and methods of making and using the same ALK, ACVR1, ACVRL1 MAP3K14 555/4885PIK3CD 825/4885PIK3R1 2227/4885

“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.