SCHEMBL802173

SCHEMBL802173

CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccccn5)c4cc21)c1ccccc1n3-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 2/20 0.37
▸ POLB P06746 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ REN P00797 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL802466 0.95 MAT2A (0.34) MAT2APOLBALDH1A1RAB9AMAPK1
SCHEMBL17228848 0.90 MAT2A (0.34) MAT2APOLBALDH1A1RAB9AMAPK1
SCHEMBL17070996 0.88 MAT2A (0.32) MAT2ACYP1A2CYP17A1
SCHEMBL18062316 0.86 MAT2A (0.34) MAT2AALDH1A1HPGDCYP1A2CYP17A1
SCHEMBL17988938 0.86 MAT2A (0.34) MAT2AALDH1A1HPGDCYP1A2CYP17A1
SCHEMBL13443614 0.85 NPY5R (0.38) MAT2APOLBALDH1A1MAPK1HPGD
SCHEMBL12989858 0.84 — —
SCHEMBL13443581 0.84 NPY5R (0.37) MAT2AALDH1A1MAPK1MAPTLMNA
SCHEMBL13443588 0.84 NPY5R (0.37) MAT2AALDH1A1MAPK1HPGDMAPT
SCHEMBL20199496 0.83 MAT2A (0.33) MAT2APOLBALDH1A1RAB9AMAPK1

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 7 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-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

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 MAT2A 4430/4885POLB 540/4885ALDH1A1 1226/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 MAT2A 4430/4885POLB 540/4885ALDH1A1 1226/4885

“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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