SCHEMBL14005490

SCHEMBL14005490

COc1ccccc1Nc1cncc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
PDPK1 O15530 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
MAPK10 P53779 2/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AHR P35869 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK14 Q16539 1/20 0.41
POLB P06746 2/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL14005537 0.84 RXFP1 (0.41) DHFRMAPTALDH1A1MAPK1PDPK1
SCHEMBL14005524 0.82 BRD4 (0.44) MAPTMAPK1L3MBTL1TAS2R14
SCHEMBL14005531 0.79 TAS2R14 (0.49) ALDH1A1NPC1RAB9APDPK1TAS2R14
SCHEMBL3941775 0.79 ALDH1A1 (0.50) DHFRMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14005491 0.79 MAPT (0.50) MAPTALDH1A1L3MBTL1GAARAB9A
SCHEMBL14068240 0.79 ALDH1A1 (0.50) DHFRMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14005527 0.77 TAS2R14 (0.47) ALDH1A1TAS2R14SMN1; SMN2BRAF
SCHEMBL14005484 0.77 MEN1 (0.51) MAPTMAPK1NPC1RAB9APDPK1
SCHEMBL14031026 0.77 DHFR (0.48) DHFRMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14005526 0.77 SLC22A12 (0.45) MAPTALDH1A1MAPK1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 DHFR 3796/4885MAPT 4382/4885ALDH1A1 2573/4885

“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.