SCHEMBL751199

SCHEMBL751199

Cc1nccc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cccc(S(C)(=O)=O)c4)nn23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.45
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
JAK2 O60674 3/20 0.41
JAK3 P52333 2/20 0.35
KIT P10721 1/20 0.35
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FYN P06241 2/20 0.34
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL753598 0.89 KCNH2 (0.43) KCNH2PIK3CAMTORJAK2JAK3
SCHEMBL2789279 0.88 PIK3CA (0.43) KCNH2PIK3CAMTORJAK2JAK3
SCHEMBL751893 0.74 MTOR (0.47) KCNH2PIK3CAMTORJAK2JAK3
SCHEMBL11030991 0.73 KCNH2 (0.46) KCNH2PIK3CAMTORJAK2JAK3
SCHEMBL11026266 0.72 KCNH2 (0.45) KCNH2PIK3CAMTORJAK2JAK3
SCHEMBL2785811 0.71 PIK3CA (0.48) PIK3CAMTORFYNDYRK1A
SCHEMBL15478282 0.71 MAPT (0.47) KCNH2KITKDM4E
SCHEMBL752799 0.70 PIK3CA (0.54) KCNH2PIK3CAMTOR
SCHEMBL752822 0.69 FYN (0.45) KCNH2PIK3CAMTORKDM4ESMN1; SMN2
SCHEMBL752419 0.69 MTOR (0.47) 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 6 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
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP 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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD KCNH2 2938/4885PIK3CA 1/4885MTOR 21/4885

“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.