SCHEMBL6793285

SCHEMBL6793285

COc1ccccc1NC(=O)Nc1cccc(-n2c(=O)c(CCC(=O)NN3CCCC3)nc3cccnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PIK3R2 O00459 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL6797256 0.89 MAPT (0.49) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6804034 0.89 MAPT (0.47) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6793286 0.87 MAPT (0.45) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6797216 0.87 MAPT (0.43) MAPTTP53SMN1; SMN2PIK3R2AHR
SCHEMBL6804319 0.87 TP53 (0.48) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6793706 0.85 MAPT (0.43) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6804231 0.85 MAPT (0.44) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6799270 0.85 HCRTR1 (0.42) MAPTTP53PIK3R2LMNARAB9A
SCHEMBL6798550 0.84 BTK (0.52) MAPTTP53SMN1; SMN2HTTPIK3R2
SCHEMBL6794159 0.82 BTK (0.47) MAPTTP53SMN1; SMN2HTTPIK3R2

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-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 MAPT 4677/4885TP53 3947/4885SMN1; SMN2 3337/4885

“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.