SCHEMBL4582384

SCHEMBL4582384

[CH2]c1ccc(-n2cnnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.64
MAPT P10636 2/20 0.64
F2 P00734 1/20 0.64
KCNJ1 P48048 3/20 0.60
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL12615985 0.89 NOTUM (0.78) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL17993966 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL8485436 0.78 KCNJ1 (0.66) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL311636 0.78 MAPT (1.00) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL82595 0.78 MAPT (0.69) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL1163779 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11711879 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL18472557 0.78 KCNJ1 (0.70) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11716535 0.77 NOTUM (0.62) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL4581917 0.76 NOTUM (0.60) NOTUMMAPTF2LMNAKMT2A

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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB NOTUM 3734/4885MAPT 4370/4885F2 4867/4885

“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.