SCHEMBL16991685

SCHEMBL16991685

C#CCc1cn(-c2ccncc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.63
NOTUM Q6P988 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
DPP4 P27487 1/20 0.45
P2RX7 Q99572 1/20 0.42
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FLT3 P36888 2/20 0.40
GSK3B P49841 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
SCHEMBL16991710 0.85 NOTUM (0.67) MAOANOTUML3MBTL1MIFKDM4E
SCHEMBL16991707 0.81 NOTUM (0.71) NOTUMMIFKDM4EMAPTKCNH2
SCHEMBL16271175 0.75 MAOA (0.65) MAOANOTUML3MBTL1MIFDPP4
SCHEMBL16991711 0.74 NOTUM (0.43) NOTUML3MBTL1MIFKCNH2
SCHEMBL30740915 0.73 MAOA (0.63) MAOANOTUML3MBTL1MIFKDM4E
SCHEMBL16991673 0.73 PSMD10 (0.53) MAOANOTUML3MBTL1MIFKDM4E
SCHEMBL12238043 0.67
SCHEMBL15597050 0.67 MAOA (0.55) MAOANOTUMDPP4P2RX7KCNH2
SCHEMBL19211257 0.66 RXRA (0.80)
SCHEMBL16271180 0.66 MAOA (0.52) MAOANOTUMMIFDPP4P2RX7

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-9382213-B2 Heterocyclic and cyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase PROMILIAD BIOPHARMA INC. (US) 2016-07-05 US disclosed
US-9382213-B2 Heterocyclic and cyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase PROMILIAD BIOPHARMA INC. (US) 2016-07-05 US disclosed
US-9382213-B2 Heterocyclic and cyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase PROMILIAD BIOPHARMA INC. (US) 2016-07-05 US disclosed
US-20150225353-A1 Heterocyclic and Cyclic Analogs of Propargyl-Linked Inhibitors of Dihydrofolate Reductase UNIVERSITY OF CONNECTICUT 2015-08-13 US disclosed
US-20150225353-A1 Heterocyclic and Cyclic Analogs of Propargyl-Linked Inhibitors of Dihydrofolate Reductase UNIVERSITY OF CONNECTICUT 2015-08-13 US disclosed
US-20150225353-A1 Heterocyclic and Cyclic Analogs of Propargyl-Linked Inhibitors of Dihydrofolate Reductase UNIVERSITY OF CONNECTICUT 2015-08-13 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-20150225353-A1 Heterocyclic and Cyclic Analogs of Propargyl-Linked Inhibitors of Dihydrofolate Reductase DHFR, DPYD, FOLR1 MAOA 601/4885NOTUM 3665/4885L3MBTL1 1125/4885

“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.