SCHEMBL1204465

SCHEMBL1204465

CC(C)(O)C#Cc1cc(Br)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.35
TTBK1 Q5TCY1 6/20 0.34
PAK4 O96013 2/20 0.33
PGK1 P00558 1/20 0.33
PIKFYVE Q9Y2I7 1/20 0.33
GCK P35557 1/20 0.33
GCKR Q14397 1/20 0.33
MEN1 O00255 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
DYRK1A Q13627 1/20 0.33
IDO1 P14902 1/20 0.33
MAP3K14 Q99558 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1228595 0.86 PGK1 (0.40) KMT2AHTTNPC1TTBK1PGK1
SCHEMBL1203529 0.81 CSF1R (0.39) TTBK1PAK4PGK1PIKFYVEGCK
SCHEMBL21963753 0.78 HSD17B10 (0.43) KMT2AHTTNPC1MEN1ALDH1A1
SCHEMBL2040558 0.78 KMT2A (0.50) KMT2AHTTNPC1PAK4MEN1
SCHEMBL2637090 0.75 KMT2A (0.47) KMT2AHTTNPC1PAK4MEN1
SCHEMBL17203284 0.74 KMT2A (0.43) KMT2AHTTNPC1MEN1DYRK1A
SCHEMBL17203338 0.74 KMT2A (0.43) KMT2AHTTNPC1PGK1GCK
SCHEMBL18430532 0.73 KMT2A (0.46) KMT2AHTTNPC1PAK4MEN1
SCHEMBL21787417 0.72 TTBK1 (0.34) TTBK1PAK4PIKFYVEMAP3K14
SCHEMBL1254830 0.70 KMT2A (0.50) KMT2AHTTNPC1PAK4MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575019-B Preparation method of 5-bromo-7-azaindole 苏州闻智生物科技有限公司 2020-04-14 CN claimed
CN-109575019-B Preparation method of 5-bromo-7-azaindole 苏州闻智生物科技有限公司 2020-04-14 CN disclosed
EP-2462116-B1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2462116-B1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
US-8741920-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2014-06-03 US disclosed
US-8741920-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2014-06-03 US disclosed
US-8741920-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2014-06-03 US disclosed
US-8530661-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2013-09-10 US disclosed
US-8530661-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2013-09-10 US disclosed
US-8530661-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2013-09-10 US disclosed
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. 2013-01-03 US disclosed
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. 2013-01-03 US disclosed
US-8329724-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329724-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329724-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2462116-A2 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-06-13 EP disclosed
WO-2011015522-A2 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-10 WO disclosed
US-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 US disclosed
US-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 US disclosed
US-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP2F1, CYP1B1, CYP7A1 KMT2A 4277/4885HTT 3121/4885NPC1 130/4885
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP1B1, CYP4B1, CYP2C19 KMT2A 4181/4885HTT 2492/4885NPC1 174/4885

“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.