SCHEMBL24065802

SCHEMBL24065802

N#Cc1cc(C#N)cc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc5ccccc45)c4ccccc34)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.50
CYP3A4 P08684 9/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
CLK4 Q9HAZ1 6/20 0.50
CYP2D6 P10635 6/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 5/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 3/20 0.50
ATM Q13315 1/20 0.50
MAPK1 P28482 4/20 0.47
ADORA2A P29274 1/20 0.47
ABCG2 Q9UNQ0 6/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 5/20 0.44

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
SCHEMBL24065818 1.00 CYP1A2 (0.50) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065804 0.93 CYP1A2 (0.46) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065829 0.91 ABCG2 (0.55) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065831 0.91 ABCG2 (0.55) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065800 0.91 CYP1A2 (0.44) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065770 0.90 MEN1 (0.50) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065763 0.90 MEN1 (0.50) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL22652757 0.90 MEN1 (0.62) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL19939358 0.89 CYP1A2 (0.49) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL24065803 0.88 ADORA2A (0.44) CYP1A2CYP3A4MEN1KMT2ACLK4

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-20210376253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-12-02 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-20210376253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC4, CRY1, TRPC1 CYP1A2 181/4885CYP3A4 14/4885MEN1 780/4885

“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.