SCHEMBL11029283

SCHEMBL11029283

c1ccn2cc(-c3cc[nH]n3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.51
NPC1 O15118 14/20 0.51
KDM4E B2RXH2 10/20 0.51
POLB P06746 2/20 0.51
PKM P14618 7/20 0.51
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
GFER P55789 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ALOX12 P18054 1/20 0.50
ALDH1A1 P00352 8/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MIF P14174 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.47

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
SCHEMBL2427073 0.89 RAB9A (0.63) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL31731985 0.84 RAB9A (0.67) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL13325909 0.74 RAB9A (0.83) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL29372978 0.73 RAB9A (0.59) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL11029689 0.73 PTGS1 (0.40) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL31154574 0.73 RAB9A (0.74) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL13325938 0.73 RAB9A (0.80) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL966793 0.73 RAB9A (0.74) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL29080554 0.73 RAB9A (0.74) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL13131131 0.73 RAB9A (0.69) RAB9ANPC1KDM4EPOLBPKM

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 RAB9A 677/4885NPC1 732/4885KDM4E 1665/4885

“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.