SCHEMBL6793175

SCHEMBL6793175

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.56
USP2 O75604 16/20 0.56
ALDH1A1 P00352 12/20 0.56
MAPK1 P28482 8/20 0.56
CYP2C19 P33261 8/20 0.56
CYP2C9 P11712 5/20 0.56
HSD17B10 Q99714 11/20 0.51
CYP3A4 P08684 9/20 0.51
HIF1A Q16665 7/20 0.51
TSHR P16473 5/20 0.51
CASP1 P29466 10/20 0.49
CASP7 P55210 10/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP2D6 P10635 4/20 0.48
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
CLK4 Q9HAZ1 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL6797775 0.86 CYP1A2 (0.53) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL6805376 0.83 PDE10A (0.42) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL6798463 0.82 ALDH1A1 (0.45) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL6793627 0.80 PDE4B (0.41) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL14947873 0.80 AKT1 (0.51) ALDH1A1CYP2C19TSHRMEN1KMT2A
SCHEMBL6793208 0.79 HDAC6 (0.46) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL8794050 0.79 PDE4A (0.50) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL6797217 0.79 PDE4B (0.40) ALDH1A1CYP2C19TSHRMEN1KMT2A
SCHEMBL6798163 0.79 MAPT (0.45) CYP1A2USP2ALDH1A1MAPK1CYP2C19
SCHEMBL6794983 0.78 ALDH1A1 (0.56) CYP1A2USP2ALDH1A1MAPK1CYP2C19

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 CYP1A2 181/4885USP2 3624/4885ALDH1A1 339/4885

“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.