SCHEMBL4569301

SCHEMBL4569301

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 4/20 0.37
AURKA O14965 3/20 0.37
RPS6KB1 P23443 3/20 0.37
AURKB Q96GD4 2/20 0.37
PIK3CG P48736 2/20 0.37
EGFR P00533 7/20 0.36
ABCB11 O95342 1/20 0.36
TBXA2R P21731 1/20 0.36
PIK3R1 P27986 1/20 0.36
HTR2A P28223 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PDE3A Q14432 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
KRAS P01116 2/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL3697004 0.85 PIK3CD (0.45) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL3697002 0.85 PIK3CD (0.45) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569335 0.84 PIK3R1 (0.41) LMNASMN1; SMN2HSD17B10PIK3CDPIK3CG
SCHEMBL4569363 0.83 PIK3CA (0.40) LMNASMN1; SMN2HSD17B10PIK3CDPIK3CG
SCHEMBL4569373 0.81 PIK3CD (0.37) LMNASMN1; SMN2HSD17B10PIK3CDPIK3CG
SCHEMBL14329171 0.80 PIK3CD (0.39) PIK3CDPIK3CGEGFR
SCHEMBL13065463 0.78 MAPK1 (0.37) LMNASMN1; SMN2HSD17B10PIK3CDAURKA
SCHEMBL13065469 0.77 PIK3CD (0.43) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569440 0.77 PIK3CD (0.36) PIK3CDPIK3CGEGFRABCB11TBXA2R
SCHEMBL4569299 0.77 AURKA (0.39) LMNASMN1; SMN2HSD17B10PIK3CDAURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 1475/4885SMN1; SMN2 1464/4885HSD17B10 1927/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 1475/4885SMN1; SMN2 1464/4885HSD17B10 1927/4885

“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.