SCHEMBL6742404

SCHEMBL6742404

COc1ccccc1CNc1nc(Cl)nc(NCCOc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HTR7 P34969 6/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM1A O60341 1/20 0.46
GAA P10253 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CASR P41180 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
USP2 O75604 2/20 0.45
TSHR P16473 2/20 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
SCHEMBL6739809 0.83 GAA (0.58) ALDH1A1HSD17B10KDM1AGAARCOR1
SCHEMBL20510979 0.82 ALDH1A1 (0.69) ALDH1A1HTR7ADRA1DADRA1AADRA1B
SCHEMBL20511109 0.79 ALDH1A1 (0.52) ALDH1A1HTR7HSD17B10ADRA1DADRA1A
SCHEMBL3267038 0.73 LMNA (0.45) ALDH1A1HSD17B10GAASMN1; SMN2KDM4E
SCHEMBL5480527 0.72 KMT2A (0.49) ALDH1A1HSD17B10KDM1AGAARCOR1
SCHEMBL7772573 0.70 CHRM2 (0.55) ALDH1A1ADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL14544593 0.70 HTR1A (0.54) ALDH1A1HTR7HSD17B10ADRA1DADRA1A
SCHEMBL32675853 0.70 HTR7 (0.73) ALDH1A1HTR7ADRA1DADRA1AADRA1B
SCHEMBL34462910 0.70 CYP1A2 (0.60) ALDH1A1HSD17B10KDM1AGAARCOR1
SCHEMBL3113286 0.70 CYP1A2 (0.70) ALDH1A1HSD17B10SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 ALDH1A1 2999/4885HTR7 1900/4885HSD17B10 2627/4885

“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.