SCHEMBL3607480

SCHEMBL3607480

NC(Cc1ccccc1)Cc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PIK3CB P42338 11/20 0.50
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PIK3CA P42336 5/20 0.43
AKT1 P31749 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
Bromide SCHEMBL3600548 0.80 MAPT (0.49) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL3604836 0.80 PIK3CB (0.57) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL913203 0.80 MAPT (0.49) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL3604032 0.77 PIK3CB (0.51) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL3601715 0.76 MAPT (0.65) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL3595762 0.75 CYP2D6 (0.47) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL3600627 0.74 MAPT (0.61) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL13119724 0.74 MAPT (0.48) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL3599828 0.74 CYP1A2 (0.60) MAPTCYP1A2CYP2D6PIK3CBKMT2A
SCHEMBL18398994 0.74 CYP1A2 (0.60) MAPTCYP1A2CYP2D6KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP 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 MAPT 2195/4885CYP1A2 1185/4885CYP2D6 1107/4885

“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.