SCHEMBL21929618

SCHEMBL21929618

N#Cc1ncccc1-c1ccccc1-c1ccccc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM1A O60341 3/20 0.39
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAOA P21397 1/20 0.34
HPGD P15428 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP11B1 P15538 1/20 0.33
GRM1 Q13255 1/20 0.32

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
SCHEMBL21928516 0.89 ALDH1A1 (0.40) KMT2AMEN1KDM1AALDH1A1SMN1; SMN2
SCHEMBL21927655 0.86 ALDH1A1 (0.38) KMT2AMEN1KDM1AALDH1A1SMN1; SMN2
SCHEMBL21928210 0.84 KMT2A (0.35) KMT2AMEN1KDM1AALDH1A1SMN1; SMN2
SCHEMBL21929615 0.83 KMT2A (0.38) KMT2AMEN1KDM1AALDH1A1SMN1; SMN2
SCHEMBL21927716 0.82 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1HTTHSD17B10
SCHEMBL21921899 0.81 GRM1 (0.34) ALDH1A1HTTHSD17B10CYP11B1GRM1
SCHEMBL21928180 0.80 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL21927638 0.80 KMT2A (0.39) KMT2AMEN1KDM1AALDH1A1SMN1; SMN2
SCHEMBL21927203 0.79 GRM1 (0.35) ALDH1A1HTTHSD17B10CYP11B1GRM1
SCHEMBL21922081 0.78 KMT2A (0.35) KMT2AMEN1ALDH1A1LMNAHTT

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 KMT2A 2038/4885MEN1 113/4885KDM1A 1948/4885

“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.