SCHEMBL5658467

SCHEMBL5658467

O=c1cccc2c3ccccc3ccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.42
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
PARP1 P09874 1/20 0.40
MTOR P42345 1/20 0.38
POLB P06746 1/20 0.38
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
CA12 O43570 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
CA9 Q16790 1/20 0.37
KAT2B Q92831 1/20 0.37

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
SCHEMBL29672392 1.00 PRKDC (0.42) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL10869453 0.78 CHEK1 (0.38) KDM4EMEN1GAAKMT2APARP1
SCHEMBL1652391 0.77 IDO1 (0.53) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL30140376 0.77 IDO1 (0.53) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL31190839 0.76 ALKBH5 (0.41) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL4512211 0.76 ALKBH5 (0.41) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL18161340 0.75 PRKDC (0.44) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL877668 0.73 IDO1 (0.41) PRKDCTDP1KDM4EMEN1NPC1
SCHEMBL15829323 0.73 PARP1 (0.50) PRKDCKDM4ENPC1MAPTKMT2A
SCHEMBL30050610 0.73 IDO1 (0.41) PRKDCTDP1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US claimed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US claimed
WO-2015197550-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-12-30 WO disclosed
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US disclosed
US-20040176353-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one VERNALIS LIMITED 2004-09-09 US disclosed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US disclosed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 US disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 WO disclosed
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO disclosed
EP-0183994-A1 Tricyclic pyridone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-06-11 EP 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 (3 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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R PRKDC 4859/4885TDP1 4800/4885KDM4E 2685/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R PRKDC 4858/4885TDP1 4791/4885KDM4E 2743/4885
US-20040176353-A1 Derivatives of pyrimido[6,1-a]isoquinolin-4-one TAS1R2, TAS2R1, TAS2R7 PRKDC 3578/4885TDP1 1446/4885KDM4E 3681/4885

“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.