SCHEMBL15079656

SCHEMBL15079656

Nc1nc2cnc(N3CCOCC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.49
PIK3CA P42336 7/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PIK3R1 P27986 5/20 0.44
MTOR P42345 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL29261686 0.80 SCD (0.55) SCDPIK3CAMAPTALDH1A1CYP1A2
SCHEMBL30526816 0.75 MAPT (0.56) PIK3CANPC1TP53MAPTALOX15
SCHEMBL15079503 0.75 MAPT (0.56) PIK3CANPC1TP53MAPTALOX15
SCHEMBL29261636 0.70 SCD (0.40) SCDPIK3CAPIK3CBMAPTALOX15
SCHEMBL2794053 0.70 POLB (0.58) PIK3CAPIK3CDPIK3CBKDM4EPIK3R1
SCHEMBL30526607 0.70 RAB9A (0.60) PIK3CANPC1TP53MAPTALOX15
SCHEMBL24196192 0.69 KDM4E (0.69) PIK3CAPIK3CDPIK3CBMAPTSMN1; SMN2
SCHEMBL10998627 0.69 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBKDM4EPIK3R1
SCHEMBL21121002 0.69 KMT2A (0.58) PIK3CAPIK3CDPIK3CBKDM4EPIK3R1
SCHEMBL30313619 0.69 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBTP53SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676480-A1 INHIBITORS OF DNA POLYMERASE THETA Breakpoint Therapeutics GmbH (DE) 2026-01-14 EP disclosed
WO-2024189493-A1 INHIBITORS OF DNA POLYMERASE THETA BREAKPOINT THERAPEUTICS GMBH (DE) 2024-09-19 WO disclosed
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 SCD 4043/4885PIK3CA 104/4885PIK3CD 93/4885

“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.