SCHEMBL7994924

SCHEMBL7994924

Cc1cnc2ccnnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CCR1 P32246 4/20 0.39
CCR5 P51681 4/20 0.39
CCR8 P51685 4/20 0.39
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
KMT2A Q03164 3/20 0.34
NOS1 P29475 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
PSMB5 P28074 1/20 0.33
UHRF1 Q96T88 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL26795804 0.75 KIF11 (0.31) PDE10A
SCHEMBL14845632 0.75 NOS3 (0.40) CYP1A2NOS3NOS2NOS1KDM4E
SCHEMBL12702739 0.75 PDE2A (0.31) PDE2APDE10A
SCHEMBL14315734 0.74 CYP1A2 (0.54) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL130023 0.72 CYP1A2 (0.55) CYP1A2CCR1CCR5CCR8KDM4E
SCHEMBL21477608 0.72 CYP1A2 (0.41) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL24803745 0.71 ESR1 (0.32)
SCHEMBL14644333 0.70 KDM4E (0.38) KMT2AKDM4EMEN1ALDH1A1UHRF1
SCHEMBL13238097 0.69 CCR1 (0.47) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL24121991 0.68 CCR1 (0.45) CYP1A2CCR1CCR5CCR8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
WO-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 WO disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-7759351-B2 Oxazolidinone compounds, and compositions and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2010-07-20 US disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
US-20090062266-A1 OXAZOLIDINONE COMPOUNDS, AND COMPOSITIONS AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2009-03-05 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 (4 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-20090062266-A1 OXAZOLIDINONE COMPOUNDS, AND COMPOSITIONS AND METHODS RELATED THERETO MAOA, MAOB, AOC2 CYP1A2 28/4885CCR1 3793/4885CCR5 3712/4885
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 CYP1A2 1312/4885CCR1 4682/4885CCR5 4639/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 CYP1A2 1296/4885CCR1 4721/4885CCR5 4650/4885
US-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 CYP1A2 3274/4885CCR1 1312/4885CCR5 1659/4885

“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.