SCHEMBL22147605

SCHEMBL22147605

N#Cc1cc(N2c3ccccc3C3(c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc32)cc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
ABCG2 Q9UNQ0 10/20 0.34
ABCB1 P08183 4/20 0.34
TSHR P16473 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
HIF1A Q16665 1/20 0.32
ABCC1 P33527 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTT P42858 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
SCHEMBL22147593 0.93 ALDH1A1 (0.34) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147627 0.90 ALDH1A1 (0.32) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147628 0.90 ALDH1A1 (0.32) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147604 0.87 ALDH1A1 (0.31) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147676 0.87 SMN1; SMN2 (0.36) ALDH1A1MAPK1SMN1; SMN2HPGDABCG2
SCHEMBL22147613 0.86 SMN1; SMN2 (0.36) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147592 0.86 ALDH1A1 (0.35) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147914 0.85 ALDH1A1 (0.35) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147698 0.85 TSHR (0.36) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL22147588 0.84 CYP1A2 (0.34) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA

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 104/4885MAPK1 3022/4885SMN1; SMN2 3089/4885

“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.