SCHEMBL6739809

SCHEMBL6739809

COc1ccccc1CNc1nc(Cl)nc(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM1A O60341 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 4/20 0.52
TSHR P16473 4/20 0.52
CYP2C19 P33261 4/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA1 P30542 2/20 0.52

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
SCHEMBL6742404 0.83 ALDH1A1 (0.60) GAAHSD17B10KDM1ARCOR1SMN1; SMN2
SCHEMBL5480527 0.81 KMT2A (0.49) GAAHSD17B10KDM1ARCOR1SMN1; SMN2
SCHEMBL18062214 0.80 APLNR (0.59) GAAHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL34462910 0.79 CYP1A2 (0.60) GAAHSD17B10KDM1ARCOR1SMN1; SMN2
SCHEMBL3113286 0.79 CYP1A2 (0.70) HSD17B10SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL20511207 0.78 DCTPP1 (0.52) TSHRKCNN3LMNAMAPK1RXFP1
SCHEMBL4823978 0.78 CYP1A2 (0.70) HSD17B10ALDH1A1MAPTKDM4EKMT2A
SCHEMBL20511447 0.78 TSHR (0.52) GAAHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL20511109 0.77 ALDH1A1 (0.52) HSD17B10SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL27582570 0.77 ALDH1A1 (0.63) GAASMN1; SMN2ALDH1A1MAPTKDM4E

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 GAA 3835/4885HSD17B10 2627/4885KDM1A 492/4885

“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.