SCHEMBL21927403

SCHEMBL21927403

N#Cc1cnccc1-c1cccc(-c2cccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.38
FAAH O00519 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
MGLL Q99685 1/20 0.38
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35

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
SCHEMBL21927690 0.94 ALDH1A1 (0.40) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927237 0.92 UCHL1 (0.38) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927727 0.92 GABRG2 (0.37) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927982 0.90 CYP11B2 (0.40) CYP11B1CYP11B2ALDH1A1FAAHHSP90AA1
SCHEMBL21927231 0.89 GABRA1 (0.35) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927582 0.88 ATR (0.39) CYP11B1CYP11B2ALDH1A1FAAHHSP90AA1
SCHEMBL21927340 0.87 CYP19A1 (0.33) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927749 0.87 GABRA1 (0.39) ALDH1A1GABRG2GABRB3GABRA1GABRA2
SCHEMBL21927376 0.86 HTT (0.35) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927315 0.86 KDM4E (0.34) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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 CYP1A2 619/4885CYP2E1 793/4885CYP3A4 1557/4885

“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.