SCHEMBL2127145

SCHEMBL2127145

COC(=O)c1cccc2[nH]c(C(N)=O)nc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.59
PKN2 Q16513 1/20 0.59
RIPK1 Q13546 2/20 0.55
PARP1 P09874 17/20 0.55
PLA2G2A P14555 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 1/20 0.51
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL7484394 0.87 PKN1 (0.60) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL1933246 0.85 PARP1 (0.69) PKN1PKN2PARP1PARP2
SCHEMBL7475827 0.84 PKN1 (0.57) PKN1PKN2RIPK1PARP1
SCHEMBL7966462 0.83 PKN1 (0.56) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL1202374 0.82 PKN1 (0.61) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL27720114 0.82 KDM4E (0.57) PKN1PKN2PARP1PARP2
SCHEMBL1170810 0.82 PKN1 (0.77) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL7477535 0.81 PARP1 (0.68) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL24512711 0.79 PKN1 (0.61) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL6366339 0.79 PKN1 (0.61) PKN1PKN2RIPK1PARP1PLA2G2A

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
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 PKN1 175/4885PKN2 115/4885RIPK1 869/4885

“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.