SCHEMBL10051153

SCHEMBL10051153

N#Cc1cc(C#N)cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
PIM1 P11309 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
XDH P47989 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
ALOX15 P16050 1/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL10051180 0.89 ADRA2C (0.49) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL10051189 0.88 CYP1A2 (0.49) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL26750958 0.88 CYP1A2 (0.49) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL26754072 0.87 PIM1 (0.53) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL10296082 0.84 CYP1A2 (0.51) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL22360100 0.83 CA1 (0.51) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL15856498 0.83 GRM5 (0.47) MCL1PIM1CYP1A2CYP2C9CYP2C19
SCHEMBL19939359 0.83 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19ALOX15
SCHEMBL26754199 0.82 CA1 (0.44) MCL1CYP1A2CA1CA2XDH
SCHEMBL6278115 0.82 MCL1 (0.43) MCL1PIM1CYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120187383-A1 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-26 US disclosed
US-20120187383-A1 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-26 US disclosed
WO-2012021315-A2 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-16 WO 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-20120187383-A1 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION CCNL2, ESR1, ESR2 MCL1 3879/4885PIM1 1069/4885CYP1A2 475/4885

“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.