SCHEMBL10068693

SCHEMBL10068693

N#Cc1ccc(N(c2ccc(C#N)cc2)c2cc3c4ccccc4c(N(c4ccc(C#N)cc4)c4ccc(C#N)cc4)cc3c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGER4 P35408 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TNKS O95271 1/20 0.36
RORC P51449 1/20 0.35
KDM1A O60341 2/20 0.35
CYP2A6 P11509 2/20 0.34
ENPP2 Q13822 1/20 0.34
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL10068520 0.97 TSHR (0.42) TSHRCA2CA1ABCG2KEAP1
SCHEMBL10068522 0.92 CYP2A6 (0.48) TSHRCA2CA1ABCG2KEAP1
SCHEMBL22744834 0.91 TSHR (0.37) TSHRCA2CA1ABCG2KEAP1
SCHEMBL12901990 0.89 CA1 (0.42) TSHRCA2CA1ABCG2KEAP1
SCHEMBL10068524 0.89 CYP2A6 (0.38) TSHRCA2CA1ABCG2KEAP1
SCHEMBL10038686 0.88 ABCG2 (0.32) TSHRCA2CA1ABCG2KEAP1
SCHEMBL10068521 0.88 RORC (0.37) TSHRCA2CA1ABCG2KEAP1
SCHEMBL10038680 0.86 ABCG2 (0.33) TSHRCA2CA1ABCG2KEAP1
SCHEMBL17933069 0.86 ABCG2 (0.38) TSHRABCG2KEAP1NFE2L2TNKS
SCHEMBL18909849 0.85 TNKS (0.41) ABCG2KEAP1NFE2L2MAOAMAOB

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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 TSHR 4468/4885CA2 1264/4885CA1 945/4885

“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.