SCHEMBL20174710

SCHEMBL20174710

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4oc5ccccc5c43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.34
ENPP3 O14638 1/20 0.31
ALOX5 P09917 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
MYC P01106 1/20 0.31
MEN1 O00255 1/20 0.30
CYP19A1 P11511 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL20174284 0.95 PDK2 (0.39) PDK2ADORA3KMT2AMAPK1MYC
SCHEMBL20174248 0.93 KMT2A (0.35) PDK2ENPP3ALOX5KMT2AMAPK1
SCHEMBL20174199 0.93 PDK2 (0.36) PDK2ADORA3KMT2AMAPK1MEN1
SCHEMBL20174209 0.92 PDK2 (0.36) PDK2ENPP3KMT2AMAPK1MEN1
SCHEMBL22326538 0.91 PDK2 (0.33) PDK2ENPP3ALOX5KMT2AMAPK1
SCHEMBL20174243 0.91 PDK2 (0.33) PDK2ENPP3ALOX5KMT2AMAPK1
SCHEMBL20174201 0.89 ALOX5 (0.32) PDK2ENPP3ALOX5KMT2AMAPK1
SCHEMBL20174271 0.89 CYP1A1 (0.37) PDK2KMT2AMAPK1
SCHEMBL20174244 0.89 ALDH1A1 (0.33) ENPP3KMT2AMAPK1
SCHEMBL20174214 0.88 PDK2 (0.36) PDK2ENPP3ADORA3KMT2AMAPK1

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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ENPP3 3214/4885ALOX5 2705/4885

“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.