SCHEMBL16291306

SCHEMBL16291306

Pc1ccccc1-n1cccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
G6PD P11413 1/20 0.48
KMT2A Q03164 1/20 0.48
NOTUM Q6P988 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
TDO2 P48775 1/20 0.42
CHRM1 P11229 1/20 0.37
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4341886 0.84 MAPK1 (0.67) MAPK1NPC1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4340576 0.82 MAPK1 (0.64) MAPK1NPC1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4336588 0.82 MAPK1 (0.64) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL4332969 0.82 MAPK1 (0.64) MAPK1NPC1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4340573 0.80 MAPK1 (0.62) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL255914 0.75 MAPK1 (0.56) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL20205325 0.75 MAPK1 (0.56) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL1531523 0.75 MAPK1 (0.56) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL255339 0.75 MAPK1 (0.56) MAPK1NPC1ALDH1A1KDM4EMAPT
SCHEMBL206362 0.75 KDM4E (0.64) MAPK1NPC1ALDH1A1KDM4EMAPT

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-9266913-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-02-23 US disclosed
US-20140371446-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2014-12-18 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-20140371446-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA MAPK1 2781/4885NPC1 3806/4885ALDH1A1 4364/4885

“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.