SCHEMBL2603534

SCHEMBL2603534

CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccnc4)c3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX12 P18054 1/20 0.36
GSK3B P49841 2/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP17A1 P05093 1/20 0.35
HTT P42858 2/20 0.35
METAP2 P50579 2/20 0.34
CYP11B2 P19099 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MDM2 Q00987 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
SCHEMBL17988953 0.94 DUSP3 (0.38) DUSP3GFERNPSR1ALOX12GSK3B
SCHEMBL17245642 0.87 DUSP3 (0.40) DUSP3CYP1A2CYP17A1SMN1; SMN2
SCHEMBL10014056 0.87 KDM4E (0.45) DUSP3CYP1A2HTTMAPTSMN1; SMN2
SCHEMBL17245677 0.85 CYP17A1 (0.36) DUSP3CYP1A2CYP17A1
SCHEMBL15434266 0.84 KDM4E (0.42) DUSP3HTTGAAMAPTSMN1; SMN2
SCHEMBL17245711 0.84 KDM4E (0.39) DUSP3
SCHEMBL17245709 0.84 KDM4E (0.41) DUSP3
SCHEMBL802467 0.84 GFER (0.38) GFERNPSR1ALOX12GSK3BPRKCB
SCHEMBL19061715 0.84 PDK2 (0.36) DUSP3GFERNPSR1ALOX12GSK3B
SCHEMBL19061337 0.84 PDK2 (0.39) DUSP3GFERNPSR1ALOX12GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC DUSP3 4312/4885GFER 1780/4885NPSR1 2835/4885

“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.