SCHEMBL802052

SCHEMBL802052

CC1(C)c2cc(-c3ccccn3)ccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ NPY5R Q15761 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ TNKS O95271 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL801954 0.92 KMT2A (0.33) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL802629 0.91 PDK2 (0.38) PDK2NPY5RMETAP2TSHRHSD17B10
SCHEMBL802953 0.91 MEN1 (0.36) NPY5RALDH1A1MAPTHPGDMEN1
SCHEMBL801965 0.90 MEN1 (0.35) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL802055 0.88 MEN1 (0.34) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL16522991 0.88 MEN1 (0.34) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL19104506 0.87 MEN1 (0.33) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL802612 0.86 MEN1 (0.32) PDK2ALDH1A1MAPTHPGDMEN1
SCHEMBL16521268 0.86 MEN1 (0.33) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL802103 0.86 MEN1 (0.33) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — 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-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — WO 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 (2 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885NPY5R 2491/4885METAP2 3239/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885NPY5R 2491/4885METAP2 3239/4885

“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.

Send feedback