SCHEMBL11029689

SCHEMBL11029689

c1ccn2cc(Nc3cc[nH]n3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 14/20 0.38
NPC1 O15118 12/20 0.38
KDM4E B2RXH2 8/20 0.38
PKM P14618 2/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
GFER P55789 2/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17962528 0.85 PTGS1 (0.50) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL11028931 0.76
SCHEMBL1495230 0.76 RAB9A (0.53) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL11029283 0.73 RAB9A (0.51) MAPTRAB9ANPC1KDM4EPKM
SCHEMBL1272593 0.72
SCHEMBL758877 0.72 PTGS1 (0.47) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL2289469 0.71 MAPT (0.44) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL2427073 0.70 RAB9A (0.63) PTGS1PTGS2MAPTRAB9ANPC1
SCHEMBL750741 0.69 RAB9A (0.36) PTGS1PTGS2MAPTCYP1A2CYP3A4
SCHEMBL2790859 0.68 JAK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS1 3075/4885PTGS2 3164/4885MAPT 3169/4885

“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.