SCHEMBL6798673

SCHEMBL6798673

O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-n2cccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
USP2 O75604 6/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2C19 P33261 6/20 0.43
CYP2C9 P11712 5/20 0.43
TSHR P16473 5/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP2D6 P10635 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
AKT1 P31749 1/20 0.40
EGFR P00533 1/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
MEN1 O00255 3/20 0.39

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
SCHEMBL6798904 0.91 USP2 (0.41) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6793036 0.91 ALDH1A1 (0.40) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6798166 0.87 ALDH1A1 (0.54) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6799109 0.87 ALDH1A1 (0.43) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6798463 0.87 ALDH1A1 (0.45) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6797404 0.87 PDE4B (0.47) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6799787 0.87 ALDH1A1 (0.53) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6797390 0.86 ALDH1A1 (0.58) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6795864 0.86 PDE4B (0.48) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL6796117 0.86 PDE4A (0.45) ALDH1A1USP2CYP1A2CYP3A4CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
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
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 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 (2 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 ALDH1A1 4505/4885USP2 3234/4885CYP1A2 2264/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 ALDH1A1 339/4885USP2 3624/4885CYP1A2 181/4885

“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.