SCHEMBL2603500

SCHEMBL2603500

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.40
▸ METAP2 P50579 3/20 0.40
▸ ALOX12 P18054 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAT2A P31153 6/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ GSR P00390 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
SCHEMBL802605 0.95 CYP1A2 (0.40) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL17988961 0.90 CYP1A2 (0.39) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL18062317 0.87 CYP1A2 (0.37) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL17228861 0.87 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL19061284 0.87 PDK2 (0.40) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL19061533 0.87 CYP1A2 (0.39) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL19061240 0.87 PDK2 (0.40) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL19061802 0.87 CYP1A2 (0.39) CYP1A2METAP2ALOX12GFERNPSR1
SCHEMBL10014046 0.86 KDM4E (0.50) CYP1A2KDM4EATML3MBTL1HTT
SCHEMBL2603592 0.86 CYP19A1 (0.39) KDM4EHTTCYP11B1CYP11B2GSK3B

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 CYP1A2 2757/4885METAP2 2347/4885ALOX12 1148/4885

“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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