SCHEMBL3602068

SCHEMBL3602068

Clc1cc(N2CCOCC2)nc(CN2CCC(c3ccncc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.41
ACHE P22303 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AVPR1A P37288 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3604924 0.76 PIK3CD (0.49) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3595351 0.71 TMEM97 (0.51) KMT2ACYP2D6CYP1A2MAPTLMNA
SCHEMBL6033570 0.71 CXCR4 (0.49) KMT2ACYP2D6CYP1A2MAPTMEN1
SCHEMBL28291336 0.70 MAPT (0.56) KMT2ACYP2D6CYP1A2MAPTMAPK1
SCHEMBL18398994 0.70 CYP1A2 (0.60) KMT2ACYP2D6CYP1A2MAPTLMNA
SCHEMBL3599828 0.70 CYP1A2 (0.60) KMT2ACYP2D6CYP1A2MAPTLMNA
SCHEMBL3598467 0.70 MAPT (0.60) KMT2ACYP2D6CYP1A2MAPTMAPK1
SCHEMBL13141217 0.70 MAPT (0.60) KMT2ACYP2D6CYP1A2MAPTMAPK1
SCHEMBL3601715 0.70 MAPT (0.65) KMT2ACYP2D6CYP1A2MAPTMAPK1
SCHEMBL3600627 0.68 MAPT (0.61) KMT2ACYP2D6CYP1A2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 KMT2A 3423/4885CYP2D6 1107/4885CYP1A2 1185/4885

“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.