SCHEMBL552293

SCHEMBL552293

NNc1ccc2c(c1)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.58
PARP11 Q9NR21 9/20 0.58
MKNK1 Q9BUB5 1/20 0.57
PARP1 P09874 5/20 0.51
PDPK1 O15530 1/20 0.51
GRM5 P41594 5/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2027837 0.87 PARP10 (0.63) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL24783703 0.83 PARP10 (0.63) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL23432222 0.80 PARP10 (0.58) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL25124551 0.80 PARP10 (0.58) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL15727824 0.77 PARP10 (0.64) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL23657097 0.75 PARP10 (0.65) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL1951410 0.75 PARP11 (0.63) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL24784236 0.74 MKNK1 (0.48) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL25124517 0.74 PARP10 (0.51) PARP10PARP11MKNK1PARP1PDPK1
SCHEMBL15727792 0.74 PARP10 (0.51) PARP10PARP11MKNK1PARP1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
EP-2089367-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2009-08-19 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
WO-2008041037-A1 FUSED INDOLES AND INDAZOLES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-04-10 WO disclosed
EP-1252161-A1 PYRROLO-ISOQUINOLINE AND TETRAHYDROPYRROLO-ISOQUINOLINE DERIVATIVES AND THEIR USE AS MEDIATORS OF THE 5-HT7 RECEPTOR Wyeth (US) 2002-10-30 EP disclosed
US-6432974-B1 CIRCADIAN RHYTHYM, SLEEP, SEXUAL, NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; DRUG ABUSE, DRUG DEPENDENCE, AND SCHIZOPHRENIA TREATMENT WYETH 2002-08-13 US disclosed
WO-2001057039-A1 PYRROLO-ISOQUINOLINE AND TETRAHYDROPYRROLO-ISOQUINOLINE DERIVATIVES AND THEIR USE AS MEDIATORS OF THE 5-HT7 RECEPTOR WYETH (US) 2001-08-09 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 (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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 PARP10 579/4885PARP11 596/4885MKNK1 2730/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 PARP10 579/4885PARP11 596/4885MKNK1 2730/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB PARP10 3374/4885PARP11 4130/4885MKNK1 4304/4885

“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.