SCHEMBL6664459

SCHEMBL6664459

c1ccc(-n2cnc3ncncc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
FGFR1 P11362 8/20 0.51
HTT P42858 1/20 0.50
LTA4H P09960 1/20 0.44
SRC P12931 2/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6661764 0.83 HDAC6 (0.59) HDAC6FGFR1LTA4H
SCHEMBL8327824 0.79 HDAC6 (0.59) HDAC6FGFR1HTTLTA4HALDH1A1
SCHEMBL8326090 0.78 HDAC6 (0.58) HDAC6FGFR1HTTALDH1A1
SCHEMBL4352301 0.74 HTT (0.58) FGFR1HTTSRC
SCHEMBL17187986 0.73 HDAC6 (0.55) HDAC6FGFR1SRC
SCHEMBL6879124 0.72 HDAC6 (0.40) HDAC6HTTLTA4HALDH1A1
SCHEMBL23438813 0.72 ATM (0.43) FGFR1HTTALDH1A1
SCHEMBL680855 0.71 FGFR1 (0.56) FGFR1HTTLTA4HSRCALDH1A1
SCHEMBL30662366 0.71 RPS6KA5 (0.51) FGFR1HTTSRCALDH1A1
SCHEMBL11900775 0.71 FGFR1 (0.75) FGFR1HTTSRCALDH1A1

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-20220216426-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-07 US disclosed
WO-2021135182-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
EP-1444982-A1 The use of purine derivatives as selective kinase inhibitors MERCKLE GMBH (DE) 2004-08-11 EP 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-20220216426-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS NCL, DNMT3A, NUDT1 HDAC6 4177/4885FGFR1 3962/4885HTT 248/4885

“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.