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.

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