SCHEMBL1303607

SCHEMBL1303607

O=C(NCc1cccnc1)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
DYRK1A Q13627 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NAMPT P43490 3/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
ATG4B Q9Y4P1 1/20 0.52
CD274 Q9NZQ7 1/20 0.50
LCK P06239 1/20 0.50
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL18541791 0.88 LCK (0.62) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL6068120 0.85 GSK3B (0.67) MEN1KMT2ARAB9ANPC1DYRK1A
SCHEMBL1303700 0.79 PIK3CG (0.64) RAB9ANAMPTCD274PIK3CAPIK3CG
SCHEMBL18541882 0.79 DYRK1A (0.60) MEN1KMT2ARAB9ANPC1DYRK1A
SCHEMBL1303393 0.78 RAB9A (0.69) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1302829 0.77 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6904997 0.77 LCK (0.77) LCK
SCHEMBL165178 0.75 KMT2A (1.00) MEN1KMT2ARAB9ACYP2C9SMN1; SMN2
SCHEMBL27306616 0.75 RAB9A (0.55) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL6068055 0.74 RAB9A (0.60) MEN1KMT2ARAB9ANPC1CYP1A2

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
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB MEN1 1204/4885KMT2A 2106/4885RAB9A 2332/4885

“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.