SCHEMBL6797879

SCHEMBL6797879

O=C(Nc1ccc(F)c(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
PDGFRA P16234 1/20 0.40
DRD4 P21917 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL6795984 0.87 EGFR (0.47) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6798222 0.86 MAPT (0.44) ALDH1A1MAPTCYP11B1CYP11B2POLB
Hydrochloric Acid SCHEMBL6796791 0.86 EGFR (0.46) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6798624 0.85 POLB (0.47) RAB9AMEN1ALDH1A1KMT2AMAPT
SCHEMBL6794158 0.84 SIRT2 (0.47) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6799883 0.81 MEN1 (0.47) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6799003 0.81 PTPN11 (0.41) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6796852 0.81 BTK (0.44) ALDH1A1MAPTPARP1SIRT2SIRT1
SCHEMBL6801167 0.80 EGFR (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6798452 0.79 EGFR (0.48) RAB9ASMN1; SMN2ALDH1A1CYP11B1CYP11B2

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 NPC1 875/4885RAB9A 1092/4885SMN1; 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.