SCHEMBL14883448

SCHEMBL14883448

CCOC(=O)c1ccc(N(C)C(C)c2cc3nc(Cl)nc(N4CCOCC4)c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PIK3R1 P27986 5/20 0.40
MTOR P42345 3/20 0.39
PIK3R2 O00459 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL1284466 0.88 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL1283969 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL1623248 0.80 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL19715929 0.79 P2RY12 (0.40) PIK3CAKDM4EALDH1A1LMNAHPGD
SCHEMBL16921199 0.79 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL1283966 0.78 LMNA (0.49) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL16924704 0.76 MEN1 (0.56) PIK3CAKDM4EALDH1A1LMNAHPGD
SCHEMBL17881272 0.76 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL1284141 0.76 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBHDAC1HDAC2
SCHEMBL1284560 0.75 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 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-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885PIK3CD 194/4885PIK3CB 156/4885

“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.