Sugi Predict

Sugi Predict / Compounds / SCHEMBL985631

SCHEMBL985631

SCHEMBL985631

Cc1ccc2cc(-c3ccc(F)cc3F)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ BACE1 P56817 3/20 0.47
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ DHODH Q02127 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TTR P02766 1/20 0.40

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
SCHEMBL384813 0.81 CYP1A2 (0.63) CYP1A2BACE1POLBKDM4ELMNA
SCHEMBL12923097 0.76 RAB9A (0.49) BACE1KDM4ELMNAESR1ESR2
SCHEMBL5174850 0.75 NPC1 (0.61) BACE1POLBKDM4EAKR1C3AKR1C2
SCHEMBL25693851 0.74 ADORA2A (0.49) KDM4ELMNANPC1RAB9ADHODH
SCHEMBL12269078 0.72 CYP1A2 (0.47) CYP1A2BACE1POLBKDM4ELMNA
SCHEMBL14269733 0.72 CYP1A2 (0.47) CYP1A2BACE1KDM4ENPC1RAB9A
SCHEMBL15730144 0.72 POLB (0.47) CYP1A2BACE1POLBKDM4ELMNA
SCHEMBL30081474 0.72 CYP1A2 (0.61) CYP1A2POLBKDM4ELMNACASP6
SCHEMBL1193454 0.72 CYP1A2 (0.61) CYP1A2POLBKDM4ELMNACASP6
SCHEMBL6004654 0.71 GSTP1 (0.57) CYP1A2AKR1C3AKR1C2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507896-B2 Compounds having electroluminescent or electron transport properties MERCK PATENT GMBH (DE) 2013-08-13 — — US disclosed
US-8507896-B2 Compounds having electroluminescent or electron transport properties MERCK PATENT GMBH (DE) 2013-08-13 — — US disclosed
US-8507896-B2 Compounds having electroluminescent or electron transport properties MERCK PATENT GMBH (DE) 2013-08-13 — — US disclosed
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH 2011-01-13 — — US disclosed
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH 2011-01-13 — — US disclosed
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH 2011-01-13 — — US disclosed
EP-2250151-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES Merck Patent GmbH (DE) 2010-11-17 — — EP disclosed
WO-2009112854-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2009-09-17 — — 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 (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-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES NR2E3, NR4A2, NR4A3 CYP1A2 544/4885BACE1 4432/4885POLB 2267/4885

“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.