SCHEMBL2384253

SCHEMBL2384253

Nc1cc(COc2nsnc2N2CCNCC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR2C P28335 7/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PRMT5 O14744 1/20 0.38
HTR6 P50406 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL2382669 0.84 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2383055 0.83 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL5572898 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2385794 0.81 HSD17B10 (0.45) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL12251227 0.80 ALDH1A1 (0.53) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2383246 0.80 HRH4 (0.49) ALDH1A1ALOX15TSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL2383364 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2385291 0.78 HRH4 (0.58) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2425844 0.75 HSD11B1 (0.44) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2385310 0.73 TRPV1 (0.44) HSD17B10

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
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ALDH1A1 3053/4885ALOX15 1554/4885TSHR 4226/4885

“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.