SCHEMBL2603592

SCHEMBL2603592

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2cccnc2)nc(-c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.39
▸ PDK2 Q15119 3/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 3/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CAMK2D Q13557 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 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
SCHEMBL782324 0.96 CYP19A1 (0.39) CYP19A1PDK2GSK3BCYP11B1CYP11B2
SCHEMBL2132479 0.90 KDM4E (0.35) MAPTKDM4ELMNACYP2C9
SCHEMBL24492816 0.87 PDK2 (0.37) CYP19A1PDK2GSK3BCYP11B1CYP11B2
SCHEMBL2603500 0.86 CYP1A2 (0.40) GSK3BCYP11B1CYP11B2KDM4EHTT
SCHEMBL783570 0.86 PDE10A (0.32) PDK2PDE10A
SCHEMBL16978540 0.85 CYP1A2 (0.38) PDK2GSK3BMAPTKDM4ELMNA
SCHEMBL783259 0.85 KDM4E (0.35) MAPTKDM4ELMNACYP2C9
SCHEMBL24492897 0.84 PDK2 (0.38) CYP19A1PDK2GSK3BCYP11B1CYP11B2
SCHEMBL14849714 0.84 CYP19A1 (0.47) CYP19A1PDK2GSK3BCYP11B1MAPT
SCHEMBL17071001 0.84 KDM4E (0.32) KDM4E

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 6 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-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — 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 CYP19A1 3482/4885PDK2 1197/4885GSK3B 2355/4885

“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.

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