SCHEMBL179187

SCHEMBL179187

N#Cc1cccc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PGR P06401 2/20 0.35
KCNN4 O15554 1/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CLK4 Q9HAZ1 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL179173 0.96 KCNA5 (0.40) ENPP2CA1CA2PGRKCNN4
SCHEMBL20779829 0.96 KCNA5 (0.40) ENPP2CA1CA2PGRKCNN4
SCHEMBL125710 0.88 ENPP2 (0.31) ENPP2
SCHEMBL12640488 0.88 PGR (0.34) ENPP2CA1CA2PGRALDH1A1
SCHEMBL15587518 0.88 KCNA5 (0.36) ENPP2CA1CA2KCNN4KCNA5
SCHEMBL13060287 0.88 KDM4C (0.32) ENPP2PGRKCNN4KCNA5ALDH1A1
SCHEMBL12640421 0.88 ALDH1A1 (0.36) PGRKCNN4KCNA5ALDH1A1MAPT
SCHEMBL13424476 0.87 CDC7 (0.32) ENPP2ALDH1A1MAPTLMNAKDM4E
SCHEMBL13060562 0.87 KCNN4 (0.33) ENPP2PGRKCNN4KCNA5ALDH1A1
SCHEMBL13060563 0.87 KCNN4 (0.33) ENPP2PGRKCNN4KCNA5ALDH1A1

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-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
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 ENPP2 1971/4885CA1 945/4885CA2 1264/4885

“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.