SCHEMBL6797233

SCHEMBL6797233

O=c1c(CN2CCOCC2)nc2cccnc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MCHR1 Q99705 1/20 0.40
GAA P10253 1/20 0.39
PIK3CD O00329 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6805376 0.81 PDE10A (0.42) ALDH1A1TSHRUSP2CYP1A2HSD17B10
SCHEMBL6798463 0.80 ALDH1A1 (0.45) ALDH1A1TSHRUSP2CYP1A2CASP1
SCHEMBL6802897 0.79 CYP11B1 (0.47) ALDH1A1TSHRUSP2CYP1A2HSD17B10
SCHEMBL6793627 0.79 PDE4B (0.41) ALDH1A1TSHRUSP2CYP1A2HSD17B10
SCHEMBL6793208 0.78 HDAC6 (0.46) ALDH1A1TSHRUSP2CYP1A2HSD17B10
SCHEMBL8794050 0.78 PDE4A (0.50) ALDH1A1TSHRUSP2CYP1A2CASP1
SCHEMBL6798163 0.77 MAPT (0.45) ALDH1A1TSHRUSP2CYP1A2CASP1
SCHEMBL6793175 0.76 CYP1A2 (0.56) ALDH1A1TSHRUSP2CYP1A2CASP1
SCHEMBL6797019 0.76 MAPT (0.48) ALDH1A1TSHRUSP2CYP1A2CASP1
SCHEMBL6797537 0.76 ALDH1A1 (0.44) ALDH1A1TSHRUSP2CYP1A2HSD17B10

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 7 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
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 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 ALDH1A1 339/4885TSHR 916/4885USP2 3624/4885

“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.