SCHEMBL21921750

SCHEMBL21921750

N#Cc1cncc(-c2ccccc2N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
ADORA1 P30542 1/20 0.36
P4HTM Q9NXG6 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL21928127 0.96 MAPT (0.38) LMNAMAPTTP53CYP11B1CYP11B2
SCHEMBL21928512 0.94 CYP11B2 (0.41) LMNAMAPTTP53CYP11B1CYP11B2
SCHEMBL21927903 0.92 CYP11B2 (0.40) CYP11B1CYP11B2MAP4K4
SCHEMBL21928211 0.87 CYP1A2 (0.35) LMNAMAPTTP53CYP11B1CYP11B2
SCHEMBL17952740 0.84 SMN1; SMN2 (0.39) LMNAMAPTCYP11B1CYP11B2SMN1; SMN2
SCHEMBL21928181 0.83 CYP11B1 (0.39) CYP11B1CYP11B2ROCK2ROCK1CDC42BPB
SCHEMBL21927332 0.82 LRRK2 (0.39) CYP11B1CYP11B2ROCK2ROCK1CDC42BPB
SCHEMBL21927374 0.81 CYP11B2 (0.41) CYP11B1CYP11B2ADORA1ALDH1A1MAP4K4
SCHEMBL21927717 0.81 CYP11B1 (0.37) CYP11B1CYP11B2ROCK2ROCK1CDC42BPB
SCHEMBL28367159 0.80 LMNA (0.42) LMNAMAPTTP53CYP11B2SMN1; SMN2

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-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
EP-3644385-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-04-29 EP 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 LMNA 391/4885MAPT 963/4885TP53 2822/4885

“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.