SCHEMBL13065477

SCHEMBL13065477

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)nc(Oc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CD O00329 12/20 0.39
PIK3CG P48736 9/20 0.38
PIK3CB P42338 7/20 0.38
ABCB11 O95342 1/20 0.38
TBXA2R P21731 1/20 0.38
HTR2A P28223 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.33
KRAS P01116 1/20 0.32
EGFR P00533 2/20 0.32

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
SCHEMBL291169 0.88 PIK3R1 (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4569335 0.82 PIK3R1 (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL13064815 0.81 PIK3CD (0.38) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL13065482 0.81 EGFR (0.38) PIK3R1PIK3CAPIK3CDEGFR
SCHEMBL20961870 0.81 PIK3CA (0.37) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14329153 0.80 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDPIK3CGEGFR
SCHEMBL4569399 0.80 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDEGFR
SCHEMBL13065460 0.80 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4569339 0.80 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4569358 0.79 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
WO-2010129816-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2010-11-11 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 (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-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD PIK3R1 18/4885PIK3CA 1/4885PIK3CD 3/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3R1 14/4885PIK3CA 1/4885PIK3CD 2/4885

“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.