SCHEMBL17031570

SCHEMBL17031570

COc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.53
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SLC2A1 P11166 2/20 0.49
▸ BTK Q06187 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ PDE2A O00408 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ STAMBP O95630 1/20 0.43
▸ COPS5 Q92905 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL15615969 0.89 CNR2 (0.58) CNR2SLC2A1BTKPOLB
SCHEMBL15615899 0.80 MTOR (0.46) CNR2NPC1RAB9ASLC2A1BTK
SCHEMBL17031567 0.80 EGFR (0.49) ALDH1A1KDM4ECSF1RMEN1KMT2A
SCHEMBL17031568 0.79 AURKB (0.57) ALDH1A1KDM4EPKMMAPT
SCHEMBL15615888 0.71 LMNA (0.53) ALDH1A1MAPTPOLB
SCHEMBL16137602 0.70 MTOR (0.45) CNR2NPC1RAB9ASLC2A1BTK
SCHEMBL5083313 0.69 CNR2 (1.00) CNR2
SCHEMBL12519685 0.69 BTK (0.60) CNR2NPC1RAB9ASLC2A1BTK
SCHEMBL15615882 0.69 MAPT (0.52) ALDH1A1KDM4EPKMMAPT
SCHEMBL5450303 0.69 CNR2 (0.80) CNR2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365572-B2 PI3K and/or mTOR inhibitor Xuanzhu Pharma Co., Ltd. (CN) 2016-06-14 — — US disclosed
US-20150239885-A1 PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-08-27 — — 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-20150239885-A1 PI3K AND/OR MTOR INHIBITOR MTOR, RICTOR, RPTOR CNR2 1868/4885NPC1 832/4885RAB9A 459/4885

“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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