SCHEMBL15079660

SCHEMBL15079660

Nc1ccc(-c2cn3c(n2)sc2nc(N4CCOCC4)ncc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.59
PIK3CA P42336 11/20 0.45
PIK3R1 P27986 8/20 0.45
MTOR P42345 5/20 0.45
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPN11 Q06124 1/20 0.39
ATR Q13535 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL15079657 0.85 FLT3 (0.57) FLT3MTORNPC1TP53RAB9A
SCHEMBL15079492 0.84 FLT3 (0.49) FLT3PIK3CAPIK3R1MTORNPC1
SCHEMBL15079472 0.75 FLT3 (1.00) FLT3
SCHEMBL75005 0.75 RAB9A (0.48) FLT3PIK3CAPIK3R1MTORNPC1
SCHEMBL75006 0.75 SMN1; SMN2 (0.46) FLT3PIK3CAPIK3R1MTORNPC1
SCHEMBL17706299 0.75 FLT3 (0.67) FLT3
SCHEMBL15079653 0.74 FLT3 (0.57) FLT3
SCHEMBL15079494 0.72 FLT3 (0.64) FLT3NPC1RAB9AALDH1A1ATR
SCHEMBL3725617 0.70 PIK3CA (0.72) FLT3PIK3CAPIK3R1MTORPIK3CD
SCHEMBL15079490 0.69 MAPT (0.44) FLT3NPC1TP53RAB9ASMN1; SMN2

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
EP-2763998-B1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2016-04-27 EP disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
WO-2013091502-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2013-06-27 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-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF MAP3K15, MAP3K1, MAP3K5 FLT3 123/4885PIK3CA 104/4885PIK3R1 260/4885

“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.