SCHEMBL2603595

SCHEMBL2603595

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(C)C)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ PGR P06401 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ TP53 P04637 4/20 0.32
▸ POLB P06746 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL20152276 0.96 NPC1 (0.34) HTTNPC1RAB9AXBP1ATM
SCHEMBL24216248 0.92 MEN1 (0.33) ATMMAPTKMT2AMEN1HPGD
SCHEMBL15625659 0.92 MEN1 (0.33) ATMMAPTKMT2AMEN1HPGD
SCHEMBL31853 0.92 L3MBTL1 (0.32) ATMMAPTKMT2AMEN1ABCG2
SCHEMBL15625658 0.90 MEN1 (0.34) ATMMAPTLMNAKMT2AMEN1
SCHEMBL25966010 0.90 GSK3B (0.31) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL2603576 0.90 ABCG2 (0.30) ABCG2
SCHEMBL25517449 0.89 ATM (0.35) ATMMAPTKMT2AMEN1HPGD
SCHEMBL25517442 0.89 ATM (0.35) ATMMAPTKMT2AMEN1HPGD
SCHEMBL2603596 0.89 ABCG2 (0.35) HTTNPC1RAB9ANPSR1MAPT

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 HTT 908/4885NPC1 2207/4885RAB9A 2373/4885

“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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