SCHEMBL3606729

SCHEMBL3606729

CN(Cc1ccc2ccccc2n1)Cc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
PDE10A Q9Y233 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIK3CB P42338 5/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL3599595 0.79 PIK3CD (0.52) PIK3CB
SCHEMBL3602197 0.78 KMT2A (0.44) KMT2AMAPTCYP1A2CYP2D6KDM4E
SCHEMBL3595795 0.77 CHRNB2 (0.44) KMT2AMAPTCYP1A2CYP2D6KDM4E
SCHEMBL3606727 0.76 MAPT (0.44) KMT2AMAPTCYP1A2CYP2D6KDM4E
SCHEMBL3613154 0.72 PIK3CB (0.46) KMT2AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL24943586 0.71 NCF1 (0.52) CYP1A2PDE10A
SCHEMBL18398994 0.71 CYP1A2 (0.60) KMT2AMAPTCYP1A2CYP2D6KDM4E
SCHEMBL913203 0.69 MAPT (0.49) KMT2AMAPTCYP1A2CYP2D6KDM4E
SCHEMBL3604836 0.69 PIK3CB (0.57) KMT2AMAPTCYP1A2CYP2D6PIK3CB
SCHEMBL3596067 0.68 KMT2A (0.48) KMT2AMAPTCYP1A2CYP2D6NPC1

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 3423/4885MAPT 2195/4885CYP1A2 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.