SCHEMBL2773889

SCHEMBL2773889

Cc1nc(Nc2ccc(N3CCOCC3)nn2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.75
MTOR P42345 11/20 0.75
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CNR2 P34972 1/20 0.32
SYK P43405 1/20 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
SCHEMBL756140 0.91 PIK3CA (0.63) PIK3CAMTORCDK2JAK2JAK1
SCHEMBL2787097 0.90 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL2789422 0.88 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL11028412 0.87 PIK3CA (0.57) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL2786312 0.86 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL2787498 0.86 MTOR (0.73) PIK3CAMTORALDH1A1HTTSMN1; SMN2
SCHEMBL2773798 0.86 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL2776327 0.82 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL2790676 0.82 PIK3CA (0.54) PIK3CAMTORALDH1A1SMN1; SMN2KDM4E
SCHEMBL2773765 0.81 PIK3CA (0.62) PIK3CAMTOR

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PIK3CA 1/4885MTOR 21/4885CCNE1 1797/4885

“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.