SCHEMBL22147694

SCHEMBL22147694

N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1N1c2ccccc2C2(c3ccccc3Sc3ccccc32)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ABCG2 Q9UNQ0 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
ABCB1 P08183 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
SCHEMBL22147495 0.91 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL22147586 0.88 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C9CYP2C19ABCG2
SCHEMBL22147505 0.88 SMN1; SMN2 (0.33) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL22147499 0.88 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL22147698 0.88 TSHR (0.36) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL22147697 0.85 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL22147716 0.85 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL22147673 0.85 SMN1; SMN2 (0.34) ABCG2SMN1; SMN2HIF1AABCB1
SCHEMBL22147627 0.84 ALDH1A1 (0.32) ALDH1A1LMNAABCG2SMN1; SMN2ABCB1
SCHEMBL22147513 0.83 ABCG2 (0.36) ALDH1A1LMNAMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OSTC, OCIAD2 ALDH1A1 104/4885LMNA 3039/4885KDM4E 3675/4885

“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.