SCHEMBL754980

SCHEMBL754980

O=C(Nc1cc(C(F)(F)F)ccc1Cl)n1cc[c]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KCNH2 Q12809 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL761096 0.90 MAPT (0.46) CHRNA7ALDH1A1MEN1KMT2ALMNA
SCHEMBL752990 0.84 MAPT (0.54) TRPV1MEN1KMT2APOLBMAPK1
SCHEMBL11028201 0.74 MEN1 (0.52) ALDH1A1TRPV1MEN1KMT2ALMNA
SCHEMBL29776952 0.74 CHRNA7 (0.76) CHRNA7ALDH1A1TRPV1MEN1KMT2A
SCHEMBL20472469 0.74 CHRNA7 (0.76) CHRNA7ALDH1A1TRPV1MEN1KMT2A
SCHEMBL758028 0.73 MAPT (0.49) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL752278 0.73 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL9835452 0.72 CHRNA7 (0.61) CHRNA7ALDH1A1TRPV1MEN1KMT2A
SCHEMBL1013241 0.72 ALDH1A1 (0.63) CHRNA7ALDH1A1TRPV1MEN1KMT2A
SCHEMBL27322095 0.72 CHRNA7 (0.61) CHRNA7ALDH1A1TRPV1MEN1KMT2A

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-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
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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 (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 CHRNA7 4756/4885ALDH1A1 4785/4885TRPV1 4437/4885

“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.