SCHEMBL20174378

SCHEMBL20174378

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3oc5ccccc5c3-4)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20174375 0.93 ALDH1A1 (0.34) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL20174374 0.93 PDK2 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL20174402 0.93 CYP1A2 (0.32) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL20174370 0.91 CYP1A1 (0.36) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL20174397 0.91 PDK2 (0.33)
SCHEMBL20174353 0.91 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1TP53CYP1A2
SCHEMBL20174388 0.91 PDK2 (0.33)
SCHEMBL20174384 0.90 CYP1A1 (0.40) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL20174345 0.89 ALDH1A1 (0.37) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL20174365 0.89 ALDH1A1 (0.35) KMT2AKDM4EMEN1ALDH1A1TP53

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
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 (2 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG KMT2A 1480/4885KDM4E 3633/4885MEN1 611/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KMT2A 1480/4885KDM4E 3633/4885MEN1 611/4885

“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.