SCHEMBL3146311

SCHEMBL3146311

CN(C)Cc1cc(Br)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 2/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 1/20 0.37
IDO1 P14902 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
SCHEMBL25925599 0.82 CCR5 (0.40) KMT2AHTTSLC6A4SLC6A2SLC6A3
SCHEMBL1254212 0.81 HTT (0.43) KMT2AHTTSLC6A4KDM4ENPC1
SCHEMBL20124986 0.81 NOS3 (0.50) KMT2ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL68962 0.80 KMT2A (0.54) KMT2AHTTMEN1POLBMAPT
SCHEMBL29607382 0.78 HTT (0.56) KMT2AHTTCCR5MEN1POLB
SCHEMBL14051242 0.78 HTT (0.56) KMT2AHTTCCR5MEN1POLB
SCHEMBL1104634 0.78 KMT2A (0.56) KMT2AHTTMEN1POLBMAPT
SCHEMBL1253324 0.77 TERT (0.43) KMT2AHTTMAPTALDH1A1TDP1
SCHEMBL20801904 0.77 CYP1A2 (0.43) KMT2ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL15829278 0.77 CYP2C19 (0.51) KMT2AHTTSLC6A4SLC6A2SLC6A3

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
CN-101384586-A PI-3 kinase inhibitors and methods of use thereof NOVARTIS AG (CH) 2009-03-11 CN disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB KMT2A 3484/4885HTT 4136/4885SLC6A4 2349/4885

“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.