SCHEMBL15029893

SCHEMBL15029893

COc1ccc2nc(C(F)F)n(-c3cc(Cl)nc(SC)n3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.53
PIK3CD O00329 4/20 0.53
PIK3CA P42336 3/20 0.53
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL16308083 0.86 KMT2A (0.45) PIK3CBPIK3CDPIK3CAKMT2AMAPT
SCHEMBL9950895 0.85 KMT2A (0.44) PIK3CBPIK3CDPIK3CAKMT2AMAPT
SCHEMBL15009018 0.85 KMT2A (0.44) PIK3CBPIK3CDPIK3CAKMT2AMAPT
SCHEMBL15029886 0.83 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAKMT2AALDH1A1
SCHEMBL9950056 0.83 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAKMT2AMAPT
SCHEMBL15029570 0.83 KMT2A (0.42) PIK3CBPIK3CDPIK3CAKMT2AS1PR1
SCHEMBL15029841 0.79 KMT2A (0.44) PIK3CBPIK3CDPIK3CAKMT2AMAPT
SCHEMBL9950249 0.79 KMT2A (0.44) PIK3CBPIK3CDPIK3CAKMT2AMAPT
SCHEMBL909630 0.77 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAKMT2A
SCHEMBL15009622 0.74 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAMAPTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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 (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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885PIK3CD 6/4885PIK3CA 28/4885

“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.