SCHEMBL6797725

SCHEMBL6797725

O=c1c(Cn2ccnc2)nc2cccnc2n1-c1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.43
CYP11B2 P19099 7/20 0.43
PDE4A P27815 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
CYP19A1 P11511 4/20 0.37
AKT1 P31749 1/20 0.37
TSHR P16473 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYP17A1 P05093 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6802897 0.89 CYP11B1 (0.47) CYP11B1CYP11B2PDE4AGAACYP19A1
SCHEMBL6798260 0.84 AKT1 (0.41) PDE4AGAAAKT1TSHRPDE10A
SCHEMBL6799410 0.82 CYP11B1 (0.46) CYP11B1CYP11B2PDE4ACYP19A1AKT1
SCHEMBL6795968 0.81 MAPT (0.47) AKT1TSHRPDE10AMAPTHSD17B10
SCHEMBL6798715 0.80 NPSR1 (0.37) CYP11B1CYP11B2PDE4ACYP19A1TSHR
SCHEMBL6797777 0.79 ALDH1A1 (0.45) POLBGAAAKT1TSHRPDE10A
SCHEMBL6797733 0.79 ADRA2A (0.40) PDE4APOLBGAAAKT1TSHR
SCHEMBL7394048 0.77 CYP19A1 (0.45) CYP11B1CYP11B2POLBCYP19A1TSHR
SCHEMBL6955003 0.76 TNIK (0.41) POLBAKT1
SCHEMBL6795045 0.74 MAPT (0.45) AKT1TSHRMAPTCYP17A1HSD17B10

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 CYP11B1 30/4885CYP11B2 28/4885PDE4A 4399/4885

“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.