SCHEMBL4569299

SCHEMBL4569299

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.39
RPS6KB1 P23443 3/20 0.39
AURKB Q96GD4 2/20 0.39
EGFR P00533 8/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CG P48736 3/20 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
LOXL2 Q9Y4K0 1/20 0.36
APAF1 O14727 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
SCHEMBL15090532 0.80 KDM4E (0.45) EGFRLMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL16677809 0.78 PIK3CD (0.44) AURKARPS6KB1AURKBEGFRLMNA
SCHEMBL179584 0.77 MAPK1 (0.36) AURKAAURKBEGFRPIK3CDPIK3CG
SCHEMBL2599472 0.77 PIK3CD (0.56) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL2599471 0.77 PIK3CD (0.56) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569301 0.77 LMNA (0.38) AURKARPS6KB1AURKBEGFRLMNA
SCHEMBL179585 0.76 PIK3CG (0.45) RPS6KB1PIK3CDPIK3CGABCB11TBXA2R
SCHEMBL14757610 0.76 CDC25B (0.39) AURKAEGFRLMNASMN1; SMN2KDM4E
SCHEMBL23668005 0.73 CDC25B (0.54) KDM4EGAALOXL2APAF1TDP2
SCHEMBL2623141 0.73 LMNA (0.64) AURKARPS6KB1AURKBEGFRLMNA

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 AURKA 523/4885RPS6KB1 197/4885AURKB 414/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB AURKA 523/4885RPS6KB1 197/4885AURKB 414/4885

“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.