SCHEMBL17570671

SCHEMBL17570671

N#Cc1cc(C#N)c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1-c1ccc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(C#N)cc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MCL1 Q07820 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 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
SCHEMBL17570575 0.96 ALDH1A1 (0.38) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL23348521 0.89 SMN1; SMN2 (0.34) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD
SCHEMBL17570672 0.89 ALDH1A1 (0.36) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL16127400 0.89 ALDH1A1 (0.36) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL17570541 0.89 ALDH1A1 (0.36) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL19909144 0.86 IMPDH2 (0.43) NPSR1CYP1A2CYP2C9CYP2C19CYP11B1
SCHEMBL21116458 0.85 ALDH1A1 (0.43) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD
SCHEMBL19913201 0.85 IMPDH2 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CYP11B1
SCHEMBL24927271 0.85 CYP1A2 (0.36) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL19909463 0.85 IMPDH2 (0.42) NPSR1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 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 (2 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 ALDH1A1 545/4885NPSR1 719/4885SMN1; SMN2 3289/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 ALDH1A1 545/4885NPSR1 719/4885SMN1; SMN2 3289/4885

“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.