SCHEMBL4581592

SCHEMBL4581592

CN(N)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HTR7 P34969 2/20 0.35
ESR1 P03372 2/20 0.35
AOC3 Q16853 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33

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
SCHEMBL18831408 0.79 ALDH1A1 (0.36) ALDH1A1TAAR1CA2GAAMAPT
SCHEMBL545805 0.79 ALDH1A1 (0.44) ALDH1A1TAAR1CHEK1NEK2LIMK1
SCHEMBL29713864 0.79 ALDH1A1 (0.44) ALDH1A1TAAR1CHEK1NEK2LIMK1
SCHEMBL1328337 0.79 ALDH1A1 (0.43) ALDH1A1TAAR1CHEK1NEK2LIMK1
SCHEMBL28265804 0.79 ALDH1A1 (0.38) ALDH1A1TAAR1ESR1CA1CA2
SCHEMBL10340767 0.77 MAPT (0.43) ALDH1A1TAAR1CHEK1NEK2LIMK1
SCHEMBL27821582 0.77 MEN1 (0.42) ALDH1A1TAAR1CHEK1NEK2LIMK1
Hydrochloric Acid SCHEMBL2872399 0.77 MAPT (0.43) ALDH1A1TAAR1CHEK1NEK2LIMK1
SCHEMBL30018773 0.76 ESR1 (0.44) ALDH1A1TAAR1HTR7ESR1LMNA
SCHEMBL30172472 0.75 ALDH1A1 (0.40) ALDH1A1TAAR1HTR7ESR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
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
EP-2541635-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2013-01-02 EP disclosed
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB ALDH1A1 2190/4885TAAR1 4080/4885CHEK1 333/4885

“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.